 Entering Gaussian System, Link 0=g16
 Input=02_dimethylenespyropentane_STD_B3LYPDBJ-augccpVDZr.in
 Output=02_dimethylenespyropentane_STD_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/02_dimethylenespyropentane_STD/Gau-23039.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/02_dimethylenespyropentane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     23040.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=02_dimethylenespyropentane_STD_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 18:09:40 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "02_dimethylenespyropentane_STD_B3LYPDBJ-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.990052000000      0.908560000000      1.004401000000
  C                                                -0.000001000000      0.353124000000      0.000001000000
  C                                                 1.353354000000     -0.135911000000      0.027075000000
  C                                                 2.271045000000     -0.944010000000     -0.460952000000
  C                                                -0.990057000000      0.908584000000     -1.004381000000
  C                                                -1.353358000000     -0.135911000000     -0.027085000000
  C                                                -2.271038000000     -0.944025000000      0.460937000000
  H                                                -1.356942000000      1.917200000000     -0.842556000000
  H                                                -0.864204000000      0.629254000000     -2.045363000000
  H                                                 1.356934000000      1.917181000000      0.842602000000
  H                                                 0.864199000000      0.629198000000      2.045374000000
  H                                                 2.047716000000     -1.619089000000     -1.278071000000
  H                                                 3.277396000000     -0.958534000000     -0.060790000000
  H                                                -3.277391000000     -0.958559000000      0.060781000000
  H                                                -2.047691000000     -1.619115000000      1.278043000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     15 NQM=       15 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15
 IAtWgt=           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul  8 18:09:41 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.990052    0.908560    1.004401
      2          6           0       -0.000001    0.353124    0.000001
      3          6           0        1.353354   -0.135911    0.027075
      4          6           0        2.271045   -0.944010   -0.460952
      5          6           0       -0.990057    0.908584   -1.004381
      6          6           0       -1.353358   -0.135911   -0.027085
      7          6           0       -2.271038   -0.944025    0.460937
      8          1           0       -1.356942    1.917200   -0.842556
      9          1           0       -0.864204    0.629254   -2.045363
     10          1           0        1.356934    1.917181    0.842602
     11          1           0        0.864199    0.629198    2.045374
     12          1           0        2.047716   -1.619089   -1.278071
     13          1           0        3.277396   -0.958534   -0.060790
     14          1           0       -3.277391   -0.958559    0.060781
     15          1           0       -2.047691   -1.619115    1.278043
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.515762   0.000000
     3  C    1.475830   1.439256   0.000000
     4  C    2.687046   2.655689   1.316568   0.000000
     5  C    2.820645   1.515761   2.765221   3.789750   0.000000
     6  C    2.765222   1.439258   2.707254   3.738658   1.475827
     7  C    3.789740   2.655686   3.738650   4.634695   2.687048
     8  H    3.152298   2.235514   3.509591   4.636209   1.085402
     9  H    3.580131   2.237545   3.130182   3.849065   1.085130
    10  H    1.085402   2.235514   2.209136   3.274334   3.152298
    11  H    1.085130   2.237545   2.213187   3.276564   3.580130
    12  H    3.566138   3.117088   2.094126   1.083186   3.961326
    13  H    3.138887   3.530648   2.094365   1.083090   4.752646
    14  H    4.752644   3.530650   4.703370   5.572931   3.138899
    15  H    3.961301   3.117074   3.915600   4.704397   3.566134
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.316568   0.000000
     8  H    2.209133   3.274336   0.000000
     9  H    2.213187   3.276573   1.829847   0.000000
    10  H    3.509590   4.636200   3.194508   3.864266   0.000000
    11  H    3.130182   3.849050   3.864267   4.440890   1.829849
    12  H    3.915621   4.704412   4.928155   3.758066   4.180866
    13  H    4.703374   5.572928   5.509818   4.859264   3.574077
    14  H    2.094367   1.083089   3.574092   3.574978   5.509818
    15  H    2.094123   1.083186   4.180861   4.183400   4.928130
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.183395   0.000000
    13  H    3.574960   1.852085   0.000000
    14  H    4.859254   5.530424   6.555914   0.000000
    15  H    3.758033   4.827637   5.530406   1.852086   0.000000
 Stoichiometry    C7H8
 Framework group  C1[X(C7H8)]
 Deg. of freedom    39
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.95D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.990052    0.908560    1.004401
      2          6           0       -0.000001    0.353124    0.000001
      3          6           0        1.353354   -0.135911    0.027075
      4          6           0        2.271045   -0.944010   -0.460952
      5          6           0       -0.990057    0.908584   -1.004381
      6          6           0       -1.353358   -0.135911   -0.027085
      7          6           0       -2.271038   -0.944025    0.460937
      8          1           0       -1.356942    1.917200   -0.842556
      9          1           0       -0.864204    0.629254   -2.045363
     10          1           0        1.356934    1.917181    0.842602
     11          1           0        0.864199    0.629198    2.045374
     12          1           0        2.047716   -1.619089   -1.278071
     13          1           0        3.277396   -0.958534   -0.060790
     14          1           0       -3.277391   -0.958559    0.060781
     15          1           0       -2.047691   -1.619115    1.278043
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           5.0050458           1.8781974           1.7728373
 Leave Link  202 at Thu Jul  8 18:09:41 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14     15
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  21 primitive shells out of 260 were deleted.
 There are   247 symmetry adapted cartesian basis functions of A   symmetry.
 There are   233 symmetry adapted basis functions of A   symmetry.
   233 basis functions,   425 primitive gaussians,   247 cartesian basis functions
    25 alpha electrons       25 beta electrons
       nuclear repulsion energy       262.3876293527 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   15 NActive=   15 NUniq=   15 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0207069312 Hartrees.
 Nuclear repulsion after empirical dispersion term =      262.3669224215 Hartrees.
 Leave Link  301 at Thu Jul  8 18:09:43 2021, MaxMem= 10737418240 cpu:              33.9 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   233 RedAO= T EigKep=  1.52D-05  NBF=   233
 NBsUse=   233 1.00D-06 EigRej= -1.00D+00 NBFU=   233
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   247   247   247   247   247 MxSgAt=    15 MxSgA2=    15.
 Leave Link  302 at Thu Jul  8 18:09:44 2021, MaxMem= 10737418240 cpu:               5.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 18:09:45 2021, MaxMem= 10737418240 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "02_dimethylenespyropentane_STD_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 18:09:45 2021, MaxMem= 10737418240 cpu:               5.1 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737289815 LenY= 10737228365
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -271.455171870545    
 DIIS: error= 2.43D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -271.455171870545     IErMin= 1 ErrMin= 2.43D-03
 ErrMax= 2.43D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.05D-03 BMatP= 3.05D-03
 IDIUse=3 WtCom= 9.76D-01 WtEn= 2.43D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.243 Goal=   None    Shift=    0.000
 GapD=    0.243 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.08D-02 MaxDP=8.83D-01              OVMax= 1.20D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.90D-02    CP:  1.31D+00
 E= -271.457717069294     Delta-E=       -0.002545198749 Rises=F Damp=F
 DIIS: error= 2.55D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -271.457717069294     IErMin= 2 ErrMin= 2.55D-04
 ErrMax= 2.55D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.47D-05 BMatP= 3.05D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.55D-03
 Coeff-Com:  0.187D-01 0.981D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.187D-01 0.981D+00
 Gap=     0.237 Goal=   None    Shift=    0.000
 RMSDP=6.27D-04 MaxDP=3.35D-02 DE=-2.55D-03 OVMax= 3.15D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.35D-04    CP:  1.31D+00  1.03D+00
 E= -271.457720728344     Delta-E=       -0.000003659050 Rises=F Damp=F
 DIIS: error= 3.52D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -271.457720728344     IErMin= 2 ErrMin= 2.55D-04
 ErrMax= 3.52D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.26D-05 BMatP= 3.47D-05
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.52D-03
 Coeff-Com: -0.582D-02 0.491D+00 0.515D+00
 Coeff-En:   0.000D+00 0.475D+00 0.525D+00
 Coeff:     -0.580D-02 0.491D+00 0.515D+00
 Gap=     0.238 Goal=   None    Shift=    0.000
 RMSDP=1.38D-04 MaxDP=5.46D-03 DE=-3.66D-06 OVMax= 1.63D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.78D-05    CP:  1.32D+00  1.03D+00  8.61D-01
 E= -271.457755937988     Delta-E=       -0.000035209644 Rises=F Damp=F
 DIIS: error= 8.91D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -271.457755937988     IErMin= 4 ErrMin= 8.91D-05
 ErrMax= 8.91D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.32D-06 BMatP= 3.26D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.399D-02 0.232D+00 0.295D+00 0.477D+00
 Coeff:     -0.399D-02 0.232D+00 0.295D+00 0.477D+00
 Gap=     0.238 Goal=   None    Shift=    0.000
 RMSDP=2.36D-05 MaxDP=8.09D-04 DE=-3.52D-05 OVMax= 7.77D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.08D-05    CP:  1.32D+00  1.03D+00  8.67D-01  9.76D-01
 E= -271.457758131425     Delta-E=       -0.000002193438 Rises=F Damp=F
 DIIS: error= 3.06D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -271.457758131425     IErMin= 5 ErrMin= 3.06D-05
 ErrMax= 3.06D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.94D-07 BMatP= 2.32D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.130D-02 0.316D-01 0.724D-01 0.310D+00 0.587D+00
 Coeff:     -0.130D-02 0.316D-01 0.724D-01 0.310D+00 0.587D+00
 Gap=     0.238 Goal=   None    Shift=    0.000
 RMSDP=8.44D-06 MaxDP=2.28D-04 DE=-2.19D-06 OVMax= 2.26D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.34D-06    CP:  1.32D+00  1.03D+00  8.67D-01  9.68D-01  7.29D-01
 E= -271.457758523057     Delta-E=       -0.000000391632 Rises=F Damp=F
 DIIS: error= 3.32D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -271.457758523057     IErMin= 6 ErrMin= 3.32D-06
 ErrMax= 3.32D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.81D-09 BMatP= 3.94D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.453D-03 0.712D-02 0.229D-01 0.126D+00 0.232D+00 0.613D+00
 Coeff:     -0.453D-03 0.712D-02 0.229D-01 0.126D+00 0.232D+00 0.613D+00
 Gap=     0.238 Goal=   None    Shift=    0.000
 RMSDP=1.41D-06 MaxDP=5.74D-05 DE=-3.92D-07 OVMax= 2.49D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.33D-06    CP:  1.32D+00  1.03D+00  8.68D-01  9.71D-01  7.35D-01
                    CP:  9.48D-01
 E= -271.457758528417     Delta-E=       -0.000000005360 Rises=F Damp=F
 DIIS: error= 1.59D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -271.457758528417     IErMin= 7 ErrMin= 1.59D-06
 ErrMax= 1.59D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.40D-09 BMatP= 6.81D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.255D-04-0.102D-02 0.381D-03 0.184D-01 0.151D-01 0.305D+00
 Coeff-Com:  0.662D+00
 Coeff:     -0.255D-04-0.102D-02 0.381D-03 0.184D-01 0.151D-01 0.305D+00
 Coeff:      0.662D+00
 Gap=     0.238 Goal=   None    Shift=    0.000
 RMSDP=5.52D-07 MaxDP=1.61D-05 DE=-5.36D-09 OVMax= 1.15D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.20D-07    CP:  1.32D+00  1.03D+00  8.69D-01  9.71D-01  7.29D-01
                    CP:  9.61D-01  7.33D-01
 E= -271.457758529927     Delta-E=       -0.000000001510 Rises=F Damp=F
 DIIS: error= 1.35D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -271.457758529927     IErMin= 8 ErrMin= 1.35D-07
 ErrMax= 1.35D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.18D-11 BMatP= 1.40D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.714D-05-0.430D-03-0.646D-03 0.913D-03-0.458D-02 0.519D-01
 Coeff-Com:  0.152D+00 0.800D+00
 Coeff:      0.714D-05-0.430D-03-0.646D-03 0.913D-03-0.458D-02 0.519D-01
 Coeff:      0.152D+00 0.800D+00
 Gap=     0.238 Goal=   None    Shift=    0.000
 RMSDP=8.31D-08 MaxDP=4.03D-06 DE=-1.51D-09 OVMax= 1.09D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  7.15D-08    CP:  1.32D+00  1.03D+00  8.69D-01  9.72D-01  7.29D-01
                    CP:  9.65D-01  7.45D-01  9.69D-01
 E= -271.457758529928     Delta-E=       -0.000000000001 Rises=F Damp=F
 DIIS: error= 5.81D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -271.457758529928     IErMin= 9 ErrMin= 5.81D-08
 ErrMax= 5.81D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.93D-12 BMatP= 1.18D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.321D-05-0.135D-03-0.261D-03 0.945D-04-0.228D-02 0.140D-01
 Coeff-Com:  0.455D-01 0.369D+00 0.574D+00
 Coeff:      0.321D-05-0.135D-03-0.261D-03 0.945D-04-0.228D-02 0.140D-01
 Coeff:      0.455D-01 0.369D+00 0.574D+00
 Gap=     0.238 Goal=   None    Shift=    0.000
 RMSDP=2.12D-08 MaxDP=1.04D-06 DE=-1.14D-12 OVMax= 3.80D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.54D-08    CP:  1.32D+00  1.03D+00  8.69D-01  9.72D-01  7.28D-01
                    CP:  9.65D-01  7.46D-01  9.94D-01  8.74D-01
 E= -271.457758529943     Delta-E=       -0.000000000015 Rises=F Damp=F
 DIIS: error= 1.93D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -271.457758529943     IErMin=10 ErrMin= 1.93D-08
 ErrMax= 1.93D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.64D-13 BMatP= 1.93D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.916D-06-0.217D-04-0.705D-04-0.133D-03-0.773D-03 0.391D-03
 Coeff-Com:  0.278D-02 0.753D-01 0.254D+00 0.669D+00
 Coeff:      0.916D-06-0.217D-04-0.705D-04-0.133D-03-0.773D-03 0.391D-03
 Coeff:      0.278D-02 0.753D-01 0.254D+00 0.669D+00
 Gap=     0.238 Goal=   None    Shift=    0.000
 RMSDP=6.42D-09 MaxDP=3.05D-07 DE=-1.48D-11 OVMax= 8.49D-08

 SCF Done:  E(RB3LYP) =  -271.457758530     A.U. after   10 cycles
            NFock= 10  Conv=0.64D-08     -V/T= 2.0062
 KE= 2.697906008449D+02 PE=-1.152896800492D+03 EE= 3.492815186955D+02
 Leave Link  502 at Thu Jul  8 18:10:16 2021, MaxMem= 10737418240 cpu:             490.8 elap:              30.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   233
 NBasis=   233 NAE=    25 NBE=    25 NFC=     0 NFV=     0
 NROrb=    233 NOA=    25 NOB=    25 NVA=   208 NVB=   208

 **** Warning!!: The largest alpha MO coefficient is  0.83513680D+02

 Leave Link  801 at Thu Jul  8 18:10:17 2021, MaxMem= 10737418240 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4632 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          15
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 8.67D-14 8.33D-09 XBig12= 1.00D+00 5.19D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 8.67D-14 8.33D-09 XBig12= 3.24D-01 1.11D-01.
     11 vectors produced by pass  2 Test12= 8.67D-14 8.33D-09 XBig12= 5.54D-02 4.40D-02.
     11 vectors produced by pass  3 Test12= 8.67D-14 8.33D-09 XBig12= 4.24D-03 1.25D-02.
     11 vectors produced by pass  4 Test12= 8.67D-14 8.33D-09 XBig12= 1.22D-04 2.26D-03.
     11 vectors produced by pass  5 Test12= 8.67D-14 8.33D-09 XBig12= 2.35D-06 2.54D-04.
     11 vectors produced by pass  6 Test12= 8.67D-14 8.33D-09 XBig12= 3.63D-08 2.89D-05.
     11 vectors produced by pass  7 Test12= 8.67D-14 8.33D-09 XBig12= 3.53D-10 3.44D-06.
      8 vectors produced by pass  8 Test12= 8.67D-14 8.33D-09 XBig12= 1.48D-12 2.55D-07.
      2 vectors produced by pass  9 Test12= 8.67D-14 8.33D-09 XBig12= 6.25D-15 1.89D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension    98 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.122622D+03
      2 -0.292189D-05  0.844594D+02
      3 -0.472730D+01 -0.210737D-04  0.768984D+02
 Isotropic polarizability for W=    0.085645       94.66 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.111963D-02 -0.812547D+02 -0.920064D-03
      2  -0.164032D-02  0.284729D+02  0.242240D-03
      3   0.520689D-03  0.527818D+02  0.677823D-03
      4  -0.115650D+03 -0.150735D-02  0.625318D+02
      5  -0.100767D-02  0.640353D+02  0.127205D-02
      6   0.429280D+02 -0.143063D-03  0.496114D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.590534D+01 -0.893334D-04  0.490181D+01
      2   0.395407D-04  0.202220D+02  0.275089D-03
      3   0.368916D+02  0.434798D-03 -0.159908D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.150344D+01 -0.385304D-03  0.478206D+02
      2   0.876113D-04  0.196038D+02  0.751356D-03
      3  -0.343953D+02 -0.132972D-03 -0.211072D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.249149D+01 -0.247634D-04 -0.877018D+01
      2  -0.247634D-04 -0.604709D+01 -0.100173D-03
      3  -0.877018D+01 -0.100173D-03  0.188153D+01
 OR G Eigenvalues:    -6.5890    -6.0471    10.9620  Iso=     0.5580
 Eigenvectors:
   (1)   0.694711   0.000165   0.719289
   (2)  -0.000117   1.000000  -0.000116
   (3)   0.719289   0.000003  -0.694711
 w=    0.085645 a.u., Optical Rotation Beta=      0.5580 au.
 Molar Mass =     92.1402 grams/mole, [Alpha] ( 5320.0 A) =      287.23 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   27261 ScalPx= 6.23D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   27261 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.97D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.44D-14 2.78D-09 XBig12= 1.00D+00 4.63D-01.
     30 vectors produced by pass  1 Test12= 1.44D-14 2.78D-09 XBig12= 1.88D-02 6.01D-02.
     30 vectors produced by pass  2 Test12= 1.44D-14 2.78D-09 XBig12= 4.84D-04 5.55D-03.
     30 vectors produced by pass  3 Test12= 1.44D-14 2.78D-09 XBig12= 9.63D-06 5.44D-04.
     30 vectors produced by pass  4 Test12= 1.44D-14 2.78D-09 XBig12= 3.71D-08 2.53D-05.
     30 vectors produced by pass  5 Test12= 1.44D-14 2.78D-09 XBig12= 1.13D-10 1.52D-06.
     25 vectors produced by pass  6 Test12= 1.44D-14 2.78D-09 XBig12= 2.34D-13 6.54D-08.
      1 vectors produced by pass  7 Test12= 1.44D-14 2.78D-09 XBig12= 4.28D-16 3.42D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   206 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   27261 ScalPx= 2.29D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   27261 ScalPx= 2.29D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   27261 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.41D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.122622D+03 -0.292189D-05 -0.472730D+01
      2  -0.292189D-05  0.844594D+02 -0.210737D-04
      3  -0.472730D+01 -0.210737D-04  0.768984D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.590534D+01 -0.893334D-04  0.490181D+01
      2   0.395407D-04  0.202220D+02  0.275089D-03
      3   0.368916D+02  0.434798D-03 -0.159908D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.111963D-02 -0.812547D+02 -0.920064D-03
      2  -0.164032D-02  0.284729D+02  0.242240D-03
      3   0.520689D-03  0.527818D+02  0.677823D-03
      4  -0.115650D+03 -0.150735D-02  0.625318D+02
      5  -0.100767D-02  0.640353D+02  0.127205D-02
      6   0.429280D+02 -0.143063D-03  0.496114D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    45 ND12= 1 LenFil=    1623:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.117361D+02  0.485927D+01  0.639451D+01 -0.339735D+01 -0.162523D+01
      2   0.485927D+01 -0.265496D+01  0.303011D+00 -0.162523D+01 -0.482268D+01
      3   0.639451D+01  0.303011D+00  0.205448D+01  0.582786D-01 -0.122563D+00
                 6             7             8             9            10 
      1   0.582786D-01  0.378675D+01  0.319268D+01  0.240343D+01  0.704167D-03
      2  -0.122563D+00  0.319268D+01  0.201532D+01  0.493510D+00 -0.118668D+02
      3   0.251394D+01  0.240343D+01  0.493510D+00 -0.527718D+01 -0.125818D-03
                11            12            13            14            15 
      1  -0.118668D+02 -0.125818D-03 -0.859682D+01  0.174761D-03 -0.540414D+01
      2   0.769886D-04 -0.164629D+01  0.174761D-03 -0.137777D+01  0.836730D-05
      3  -0.164629D+01  0.695603D-05 -0.540414D+01  0.836730D-05 -0.128438D+01
                16            17            18            19            20 
      1  -0.153501D-03 -0.803037D+01 -0.149686D-03 -0.121070D+02  0.813221D+01
      2  -0.803037D+01 -0.561093D-05 -0.141409D+01  0.813221D+01 -0.630419D+01
      3  -0.149686D-03 -0.141409D+01 -0.108497D-03  0.348357D+01 -0.215498D+00
                21            22            23            24            25 
      1   0.348357D+01  0.159249D+02 -0.523433D+01 -0.131026D+00  0.129263D+02
      2  -0.215498D+00 -0.523433D+01  0.716406D+01 -0.401298D+00 -0.423866D+00
      3  -0.356410D+01 -0.131026D+00 -0.401298D+00  0.141452D+01 -0.107996D+01
                26            27            28            29            30 
      1  -0.423866D+00 -0.107996D+01  0.606251D+01 -0.445173D+01 -0.756170D+01
      2   0.104917D+01  0.407111D+00 -0.445173D+01  0.515784D+01  0.899843D+00
      3   0.407111D+00  0.285193D+01 -0.756170D+01  0.899843D+00  0.453792D+01
                31            32            33            34            35 
      1  -0.859563D+01  0.856542D+01 -0.118147D+01 -0.131916D+02  0.734462D-01
      2   0.856542D+01 -0.940350D+01  0.274101D+01  0.734462D-01  0.272966D+01
      3  -0.118147D+01  0.274101D+01  0.120206D+01  0.579522D+01  0.104103D+01
                36            37            38            39            40 
      1   0.579522D+01 -0.117363D+02  0.485942D+01 -0.639438D+01 -0.339732D+01
      2   0.104103D+01  0.485942D+01  0.265495D+01  0.303148D+00  0.162515D+01
      3  -0.246793D+01 -0.639438D+01  0.303148D+00 -0.205451D+01  0.583838D-01
                41            42            43            44            45 
      1   0.162515D+01  0.583838D-01 -0.378668D+01  0.319282D+01 -0.240341D+01
      2  -0.482274D+01  0.122482D+00  0.319282D+01 -0.201534D+01  0.493151D+00
      3   0.122482D+00  0.251369D+01 -0.240341D+01  0.493151D+00  0.527755D+01
                46            47            48            49            50 
      1   0.121059D+02  0.813213D+01 -0.348342D+01  0.159250D+02  0.523432D+01
      2   0.813213D+01  0.630414D+01 -0.215496D+00  0.523432D+01  0.716422D+01
      3  -0.348342D+01 -0.215496D+00  0.356406D+01 -0.131041D+00  0.401252D+00
                51            52            53            54            55 
      1  -0.131041D+00 -0.129261D+02 -0.423862D+00  0.108005D+01 -0.606189D+01
      2   0.401252D+00 -0.423862D+00 -0.104921D+01  0.407290D+00 -0.445169D+01
      3   0.141470D+01  0.108005D+01  0.407290D+00 -0.285210D+01  0.756162D+01
                56            57            58            59            60 
      1  -0.445169D+01  0.756162D+01 -0.859553D+01 -0.856535D+01 -0.118136D+01
      2  -0.515785D+01  0.899971D+00 -0.856535D+01 -0.940344D+01 -0.274114D+01
      3   0.899971D+00 -0.453798D+01 -0.118136D+01 -0.274114D+01  0.120186D+01
                61            62            63            64            65 
      1   0.131915D+02  0.735578D-01 -0.579535D+01 -0.936372D+00  0.167868D+01
      2   0.735578D-01 -0.272976D+01  0.104081D+01  0.167868D+01 -0.325623D+01
      3  -0.579535D+01  0.104081D+01  0.246812D+01  0.731344D-01  0.884413D+00
                66            67            68            69            70 
      1   0.731344D-01  0.397870D+01 -0.342410D+01  0.899522D+00  0.190508D+01
      2   0.884413D+00 -0.342410D+01  0.113884D+02 -0.246694D+01 -0.414361D+00
      3  -0.792570D+00  0.899522D+00 -0.246694D+01  0.169562D+01 -0.461339D+00
                71            72            73            74            75 
      1  -0.414361D+00 -0.461339D+00  0.112391D+01 -0.944355D-01 -0.384510D+00
      2   0.865418D+00  0.128026D+01 -0.944355D-01 -0.449899D+00 -0.141395D+00
      3   0.128026D+01 -0.129544D+01 -0.384510D+00 -0.141395D+00  0.123600D+01
                76            77            78            79            80 
      1  -0.718001D+00 -0.572823D+00  0.106291D-01 -0.208630D+01 -0.335130D+00
      2  -0.572823D+00  0.720647D+00 -0.119298D+01 -0.335130D+00 -0.182695D+01
      3   0.106291D-01 -0.119298D+01 -0.198570D+01 -0.866381D+00  0.193027D+01
                81            82            83            84            85 
      1  -0.866381D+00  0.936340D+00  0.167865D+01 -0.731093D-01  0.397873D+01
      2   0.193027D+01  0.167865D+01  0.325615D+01  0.884461D+00  0.342407D+01
      3  -0.119056D+02 -0.731093D-01  0.884461D+00  0.792603D+00  0.899581D+00
                86            87            88            89            90 
      1   0.342407D+01  0.899581D+00 -0.190498D+01 -0.414283D+00  0.461352D+00
      2   0.113883D+02  0.246713D+01 -0.414283D+00 -0.865207D+00  0.128026D+01
      3   0.246713D+01  0.169571D+01  0.461352D+00  0.128026D+01  0.129552D+01
                91            92            93            94            95 
      1  -0.112389D+01 -0.944560D-01  0.384488D+00 -0.718028D+00  0.572832D+00
      2  -0.944560D-01  0.449919D+00 -0.141343D+00  0.572832D+00  0.720510D+00
      3   0.384488D+00 -0.141343D+00 -0.123598D+01  0.106207D-01  0.119298D+01
                96            97            98            99           100 
      1   0.106207D-01  0.208628D+01 -0.335136D+00  0.866357D+00  0.238180D+01
      2   0.119298D+01 -0.335136D+00  0.182685D+01  0.192998D+01 -0.126253D+01
      3  -0.198598D+01  0.866357D+00  0.192998D+01  0.119055D+02 -0.338911D+00
               101           102           103           104           105 
      1  -0.126253D+01 -0.338911D+00 -0.204055D+01  0.150328D+01  0.169494D+01
      2  -0.384204D+00 -0.722603D+00  0.150328D+01 -0.393960D+01 -0.350171D+01
      3  -0.722603D+00 -0.124791D+01  0.169494D+01 -0.350171D+01 -0.385377D+01
               106           107           108           109           110 
      1  -0.100095D+01  0.163263D+01  0.124731D+01  0.143465D+02 -0.292805D+01
      2   0.163263D+01 -0.451313D+01 -0.386914D+01 -0.292805D+01  0.168614D+01
      3   0.124731D+01 -0.386914D+01 -0.469640D+01  0.158420D+01 -0.184753D+00
               111           112           113           114           115 
      1   0.158420D+01 -0.853699D+00  0.136898D+01  0.135112D+01  0.527647D+01
      2  -0.184753D+00  0.136898D+01 -0.418253D+00 -0.563334D+00  0.289680D+00
      3   0.111125D+01  0.135112D+01 -0.563334D+00 -0.344295D+00  0.156352D+01
               116           117           118           119           120 
      1   0.289680D+00  0.156352D+01 -0.143466D+02 -0.292815D+01 -0.158424D+01
      2  -0.586415D+00 -0.575704D+00 -0.292815D+01 -0.168618D+01 -0.184789D+00
      3  -0.575704D+00  0.482044D+00 -0.158424D+01 -0.184789D+00 -0.111123D+01
               121           122           123           124           125 
      1  -0.853841D+00 -0.136907D+01  0.135110D+01 -0.527651D+01  0.289626D+00
      2  -0.136907D+01 -0.418335D+00  0.563354D+00  0.289626D+00  0.586426D+00
      3   0.135110D+01  0.563354D+00 -0.344301D+00 -0.156347D+01 -0.575686D+00
               126           127           128           129           130 
      1  -0.156347D+01 -0.238176D+01 -0.126252D+01  0.338882D+00 -0.204053D+01
      2  -0.575686D+00 -0.126252D+01  0.384300D+00 -0.722678D+00 -0.150330D+01
      3  -0.482066D+00  0.338882D+00 -0.722678D+00  0.124796D+01  0.169486D+01
               131           132           133           134           135 
      1  -0.150330D+01  0.169486D+01  0.100093D+01  0.163257D+01 -0.124718D+01
      2  -0.393979D+01  0.350175D+01  0.163257D+01  0.451318D+01 -0.386906D+01
      3   0.350175D+01 -0.385369D+01 -0.124718D+01 -0.386906D+01  0.469616D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.245589D+01 -0.426664D+01 -0.446219D+01 -0.403638D+00 -0.125882D+02
      2   0.103569D+01 -0.608279D+00  0.228841D+01 -0.553769D+01  0.719283D+01
      3   0.403298D+01  0.468456D+01  0.616683D+01  0.626297D+01  0.281399D+01
                 6             7             8             9            10 
      1  -0.980376D+01 -0.258370D+01  0.915908D+01  0.140318D+02 -0.189092D-03
      2   0.574101D+01 -0.262791D+01 -0.148121D+01 -0.989168D+01  0.829448D+01
      3   0.931774D+00  0.425192D+01 -0.121505D+01 -0.105319D+01  0.529441D-03
                11            12            13            14            15 
      1   0.109628D+00  0.112903D-04 -0.124965D+02  0.254623D-04 -0.262894D+01
      2  -0.137287D-04  0.119601D+02 -0.372828D-04 -0.386884D+01 -0.617568D-04
      3  -0.199239D+02 -0.184440D-04  0.226796D+02  0.951747D-04 -0.143197D+01
                16            17            18            19            20 
      1  -0.166568D-03  0.796239D+00  0.000000D+00 -0.102574D+01  0.412654D+01
      2  -0.251607D+02 -0.162207D-03  0.249645D+01  0.108608D+01  0.273023D+01
      3  -0.371584D-05 -0.489604D+01 -0.885944D-05  0.308220D+00  0.894473D+01
                21            22            23            24            25 
      1  -0.689139D+01  0.369034D+01 -0.934819D+01 -0.128078D+01 -0.109011D+02
      2  -0.637006D+01  0.438956D+00 -0.458000D+01  0.442037D+01 -0.180384D+02
      3  -0.743328D+01  0.229908D+02 -0.200854D+02  0.340890D+01  0.197487D-02
                26            27            28            29            30 
      1   0.512464D+01  0.535883D+01 -0.663045D+01 -0.391649D+01  0.630453D+01
      2   0.232260D+01  0.556132D+01 -0.174253D+02  0.542116D+01  0.121471D+02
      3   0.596548D+00  0.680436D+01  0.115875D+02 -0.156980D+02  0.476517D+00
                31            32            33            34            35 
      1  -0.264198D+01  0.383152D+01 -0.355405D+01  0.184268D+01  0.469006D+01
      2  -0.346442D+01  0.102951D+02  0.328542D+01  0.140497D+01  0.797885D+01
      3  -0.113702D+02  0.163889D+02 -0.101928D+02  0.868067D+01 -0.807473D+01
                36            37            38            39            40 
      1   0.143381D+01 -0.245591D+01 -0.426684D+01  0.446210D+01 -0.403813D+00
      2  -0.367879D+01  0.103561D+01  0.608053D+00  0.228862D+01  0.553737D+01
      3  -0.955727D+01 -0.403301D+01  0.468488D+01 -0.616666D+01  0.626318D+01
                41            42            43            44            45 
      1   0.125882D+02 -0.980304D+01  0.258358D+01  0.915983D+01 -0.140320D+02
      2   0.719290D+01 -0.574051D+01 -0.262744D+01  0.148202D+01 -0.989221D+01
      3  -0.281391D+01  0.931601D+00 -0.425174D+01 -0.121504D+01  0.105281D+01
                46            47            48            49            50 
      1   0.102606D+01  0.412633D+01  0.689144D+01  0.369023D+01  0.934825D+01
      2   0.108626D+01 -0.272991D+01 -0.637022D+01 -0.438534D+00 -0.457985D+01
      3  -0.308902D+00  0.894421D+01  0.743318D+01  0.229906D+02  0.200851D+02
                51            52            53            54            55 
      1  -0.128045D+01  0.109012D+02  0.512493D+01 -0.535879D+01  0.663036D+01
      2  -0.442079D+01 -0.180389D+02 -0.232305D+01  0.556168D+01 -0.174254D+02
      3   0.340926D+01 -0.198282D-02  0.597009D+00 -0.680414D+01 -0.115873D+02
                56            57            58            59            60 
      1  -0.391624D+01 -0.630467D+01 -0.264182D+01 -0.383159D+01 -0.355417D+01
      2  -0.542171D+01  0.121473D+02  0.346398D+01  0.102952D+02 -0.328495D+01
      3  -0.156981D+02 -0.476189D+00 -0.113700D+02 -0.163884D+02 -0.101933D+02
                61            62            63            64            65 
      1  -0.184279D+01  0.469008D+01 -0.143364D+01 -0.182740D+01  0.393337D+01
      2   0.140574D+01 -0.797833D+01 -0.367959D+01 -0.301374D+01  0.115530D+01
      3  -0.868055D+01 -0.807526D+01  0.955696D+01  0.236571D+01 -0.370789D+01
                66            67            68            69            70 
      1  -0.610759D+00  0.271799D+01 -0.128601D+02 -0.158003D+01 -0.903213D-01
      2   0.142280D+01  0.219278D+01 -0.110614D+01 -0.153544D+01  0.644414D-01
      3   0.105508D+01  0.278525D+01  0.923810D+01 -0.242429D+01  0.127334D+01
                71            72            73            74            75 
      1  -0.244397D+01  0.459054D+00  0.176591D+01 -0.367191D+00 -0.127139D+01
      2  -0.220884D+01  0.155945D+01  0.303577D+01 -0.609271D+00 -0.467516D+00
      3   0.263743D+00  0.924553D+00 -0.126789D+01 -0.173132D+01  0.255759D+00
                76            77            78            79            80 
      1   0.101214D+00 -0.189324D+00  0.388616D+01  0.526360D+00  0.229322D+01
      2  -0.962567D+00  0.105400D+01  0.319858D+01 -0.432339D+01 -0.295475D+01
      3  -0.677542D+00  0.448430D-01 -0.175115D+01 -0.369385D+01 -0.204226D+01
                81            82            83            84            85 
      1   0.132171D+02  0.182738D+01  0.393329D+01  0.610864D+00  0.271793D+01
      2   0.141927D+02 -0.301365D+01 -0.115523D+01  0.142279D+01 -0.219278D+01
      3   0.404926D+00 -0.236572D+01 -0.370786D+01 -0.105512D+01  0.278530D+01
                86            87            88            89            90 
      1   0.128602D+02 -0.157976D+01  0.903774D-01 -0.244362D+01 -0.459149D+00
      2  -0.110598D+01  0.153545D+01  0.644239D-01  0.220874D+01  0.155951D+01
      3  -0.923797D+01 -0.242441D+01 -0.127323D+01  0.263612D+00 -0.924555D+00
                91            92            93            94            95 
      1  -0.176591D+01 -0.367247D+00  0.127136D+01  0.101187D+00  0.189133D+00
      2   0.303568D+01  0.609370D+00 -0.467433D+00  0.962684D+00  0.105398D+01
      3   0.126797D+01 -0.173128D+01 -0.255835D+00 -0.677602D+00 -0.446887D-01
                96            97            98            99           100 
      1   0.388654D+01 -0.526315D+00  0.229361D+01 -0.132169D+02  0.126630D+01
      2  -0.319893D+01 -0.432342D+01  0.295437D+01  0.141925D+02 -0.116726D+01
      3  -0.175119D+01  0.369369D+01 -0.204216D+01 -0.404625D+00  0.193443D+01
               101           102           103           104           105 
      1  -0.133705D-01 -0.243683D+01  0.406177D+01 -0.149290D+01 -0.545668D+01
      2  -0.241771D+01 -0.275739D+01  0.964521D+00 -0.827696D+01 -0.959117D+01
      3   0.173841D+01  0.268620D+01 -0.158574D+01  0.940030D+01  0.899832D+01
               106           107           108           109           110 
      1  -0.135499D+01  0.170735D+01 -0.484463D+01  0.333017D+01  0.449161D+00
      2   0.221654D+01 -0.109900D+02 -0.112520D+02  0.111203D+02 -0.311336D+01
      3  -0.195286D+01  0.120610D+02  0.106071D+02 -0.505951D+01 -0.538435D+01
               111           112           113           114           115 
      1   0.115102D+01 -0.960435D-01  0.367523D+00 -0.122504D+00  0.205579D+01
      2   0.698187D+01  0.370585D+01 -0.264454D+01 -0.115989D+01  0.322890D+01
      3  -0.876792D+00  0.909862D+00 -0.337155D+00  0.564781D+00 -0.660699D+01
               116           117           118           119           120 
      1   0.186413D+00 -0.351734D+00 -0.333017D+01  0.449138D+00 -0.115106D+01
      2  -0.706503D+00  0.344158D+01  0.111202D+02  0.311347D+01  0.698183D+01
      3   0.858707D+00  0.167239D+01  0.505951D+01 -0.538434D+01  0.876762D+00
               121           122           123           124           125 
      1  -0.959884D-01 -0.367478D+00 -0.122541D+00 -0.205574D+01  0.186364D+00
      2  -0.370570D+01 -0.264455D+01  0.115997D+01  0.322867D+01  0.706433D+00
      3   0.909652D+00  0.336937D+00  0.564865D+00  0.660687D+01  0.858796D+00
               126           127           128           129           130 
      1   0.351725D+00 -0.126628D+01 -0.134257D-01  0.243697D+01  0.406166D+01
      2   0.344165D+01 -0.116731D+01  0.241789D+01 -0.275749D+01 -0.964419D+00
      3  -0.167238D+01 -0.193448D+01  0.173872D+01 -0.268642D+01 -0.158571D+01
               131           132           133           134           135 
      1   0.149302D+01 -0.545675D+01  0.135507D+01  0.170728D+01  0.484452D+01
      2  -0.827711D+01  0.959097D+01  0.221629D+01  0.109899D+02 -0.112514D+02
      3  -0.940082D+01  0.899848D+01  0.195274D+01  0.120611D+02 -0.106069D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.325345D+01  0.111178D+02  0.705855D+01  0.390712D+01  0.577407D+01
      2  -0.641241D+01 -0.169001D+02 -0.119618D+02 -0.651517D+01 -0.232241D+02
      3   0.966586D+01  0.578231D+01  0.490327D+01  0.260805D+01  0.174500D+02
      4   0.366800D+01 -0.768753D+01  0.224083D+01 -0.272920D+01 -0.241143D+02
      5   0.245648D+02  0.791503D+01  0.130873D+02 -0.120971D+01 -0.452634D+01
      6   0.151878D+02 -0.293368D+01  0.208415D+01 -0.428260D+01 -0.514990D+01
                 6             7             8             9            10 
      1  -0.522935D+01 -0.609779D+01  0.355106D+00  0.206633D+02  0.225509D+02
      2  -0.619380D+01 -0.216304D+01  0.580724D+01  0.138459D+02 -0.172234D+01
      3   0.114232D+02  0.826083D+01 -0.616234D+01 -0.345092D+02 -0.208286D+02
      4  -0.518877D+01  0.964406D+01  0.226534D+01  0.197281D+01 -0.547083D-03
      5   0.190587D+01  0.158491D+02  0.471699D+01 -0.335040D+01 -0.510819D+02
      6   0.375661D+01  0.771709D+01  0.658161D+01  0.543972D+00  0.598234D-03
                11            12            13            14            15 
      1  -0.110940D-03  0.458109D+00 -0.111856D-03  0.328466D+00 -0.433224D-04
      2   0.137429D-03  0.780406D+01  0.203458D-03  0.619390D+01  0.148958D-03
      3  -0.264885D-04 -0.826217D+01 -0.916018D-04 -0.652237D+01 -0.105635D-03
      4   0.205017D+02  0.168161D-03 -0.863083D+01  0.267083D-05  0.317693D+01
      5   0.230228D-03  0.213333D+01  0.314830D-03 -0.105295D+02  0.490313D-04
      6  -0.959007D+01 -0.261781D-04 -0.117708D+02  0.318339D-03 -0.316379D+01
                16            17            18            19            20 
      1   0.125421D+02  0.131965D-04 -0.790544D+01 -0.270316D+02  0.482680D+01
      2  -0.122507D+01  0.347347D-03  0.554122D+00  0.973947D+01  0.103117D+02
      3  -0.113170D+02 -0.360544D-03  0.735131D+01  0.172922D+02 -0.151385D+02
      4   0.288708D-03  0.796276D+00 -0.200670D-04  0.248337D+02 -0.308343D+02
      5  -0.288148D+02 -0.127322D-03 -0.702626D+01  0.400923D+02 -0.816060D+01
      6  -0.159404D-03 -0.775121D+01 -0.247462D-03 -0.509629D+01  0.208955D+01
                21            22            23            24            25 
      1   0.137087D+02  0.229880D+02 -0.122754D+02 -0.423628D+01  0.182809D+02
      2  -0.141155D+02 -0.936533D+01  0.762730D+00  0.957455D+01 -0.694265D+01
      3   0.406813D+00 -0.136227D+02  0.115127D+02 -0.533827D+01 -0.113382D+02
      4  -0.315313D+01 -0.201720D+02  0.348260D+02 -0.335565D+01 -0.210976D+02
      5  -0.229767D+02 -0.201375D+02  0.404550D+01  0.148976D+02 -0.481148D+01
      6   0.583026D+01  0.643635D+01 -0.325109D+01  0.486952D+01  0.600964D+01
                26            27            28            29            30 
      1   0.503661D+00 -0.152440D+02 -0.217707D+01 -0.485798D+01 -0.299987D+02
      2  -0.792054D+01  0.346595D+01 -0.134339D+01 -0.445414D+01  0.218294D+02
      3   0.741688D+01  0.117780D+02  0.352046D+01  0.931212D+01  0.816921D+01
      4   0.486578D+01  0.688133D+00 -0.103445D+02  0.274895D+02  0.923841D+01
      5   0.840913D-01  0.101573D+02 -0.507449D+02  0.745729D+01  0.277520D+02
      6   0.743468D+01 -0.546514D+01  0.990840D+01 -0.433204D+01 -0.354936D+01
                31            32            33            34            35 
      1  -0.468132D+01  0.119317D+02  0.107401D+02 -0.481876D+02  0.141016D+02
      2  -0.143182D+02  0.174805D+02 -0.682559D+01  0.341028D+02 -0.115387D+02
      3   0.189995D+02 -0.294121D+02 -0.391456D+01  0.140848D+02 -0.256286D+01
      4   0.470338D+02 -0.452445D+02  0.772222D+01  0.662542D+01  0.842172D+01
      5  -0.320382D+00  0.881509D+01  0.407045D+01  0.380890D+02  0.556834D+00
      6  -0.990663D+00 -0.118653D+02 -0.382963D+01 -0.616097D+01 -0.270568D+01
                36            37            38            39            40 
      1   0.236087D+02 -0.325341D+01 -0.111177D+02  0.705807D+01 -0.390691D+01
      2  -0.207599D+02 -0.641178D+01  0.169005D+02 -0.119614D+02  0.651555D+01
      3  -0.284884D+01  0.966519D+01 -0.578282D+01  0.490330D+01 -0.260864D+01
      4   0.237321D+01 -0.366831D+01 -0.768757D+01 -0.224122D+01 -0.272896D+01
      5  -0.177161D+02  0.245648D+02 -0.791551D+01  0.130871D+02  0.120923D+01
      6  -0.897957D+01 -0.151880D+02 -0.293306D+01 -0.208462D+01 -0.428216D+01
                41            42            43            44            45 
      1   0.577418D+01  0.522856D+01 -0.609811D+01 -0.355939D+00  0.206642D+02
      2  -0.232244D+02  0.619274D+01 -0.216240D+01 -0.580861D+01  0.138461D+02
      3   0.174503D+02 -0.114213D+02  0.826051D+01  0.616455D+01 -0.345103D+02
      4   0.241149D+02 -0.518839D+01 -0.964474D+01  0.226587D+01 -0.197232D+01
      5  -0.452585D+01 -0.190590D+01  0.158491D+02 -0.471655D+01 -0.335115D+01
      6   0.514883D+01  0.375694D+01 -0.771728D+01  0.658118D+01 -0.542079D+00
                46            47            48            49            50 
      1  -0.270304D+02 -0.482689D+01  0.137087D+02 -0.229881D+02 -0.122757D+02
      2   0.973874D+01 -0.103115D+02 -0.141154D+02  0.936502D+01  0.762514D+00
      3   0.172917D+02  0.151384D+02  0.406684D+00  0.136231D+02  0.115131D+02
      4  -0.248325D+02 -0.308340D+02  0.315332D+01 -0.201726D+02 -0.348265D+02
      5   0.400914D+02  0.816077D+01 -0.229764D+02  0.201375D+02  0.404567D+01
      6   0.509557D+01  0.208911D+01 -0.583045D+01  0.643623D+01  0.325042D+01
                51            52            53            54            55 
      1   0.423710D+01  0.182804D+02 -0.503166D+00 -0.152445D+02 -0.217819D+01
      2  -0.957500D+01 -0.694203D+01  0.792021D+01  0.346586D+01 -0.134277D+01
      3   0.533790D+01 -0.113384D+02 -0.741704D+01  0.117786D+02  0.352096D+01
      4  -0.335545D+01  0.210977D+02  0.486556D+01 -0.688672D+00  0.103435D+02
      5  -0.148981D+02 -0.481109D+01 -0.845005D-01  0.101575D+02 -0.507442D+02
      6   0.486926D+01 -0.600952D+01  0.743508D+01  0.546521D+01 -0.990836D+01
                56            57            58            59            60 
      1   0.485761D+01 -0.299982D+02  0.468080D+01  0.119319D+02 -0.107411D+02
      2   0.445421D+01  0.218291D+02  0.143181D+02  0.174799D+02  0.682669D+01
      3  -0.931182D+01  0.816911D+01 -0.189989D+02 -0.294119D+02  0.391438D+01
      4   0.274892D+02 -0.923901D+01  0.470331D+02  0.452443D+02  0.772249D+01
      5  -0.745784D+01  0.277520D+02  0.319714D+00  0.881541D+01 -0.406943D+01
      6  -0.433215D+01  0.354989D+01 -0.990352D+00  0.118663D+02 -0.382945D+01
                61            62            63            64            65 
      1  -0.481871D+02 -0.141024D+02  0.236089D+02  0.432011D+01  0.213709D+01
      2   0.341024D+02  0.115397D+02 -0.207603D+02  0.330484D+01 -0.957698D+01
      3   0.140847D+02  0.256267D+01 -0.284866D+01 -0.762495D+01  0.743989D+01
      4  -0.662619D+01  0.842180D+01 -0.237205D+01 -0.111445D+02  0.187607D+02
      5   0.380895D+02 -0.555714D+00 -0.177171D+02  0.725069D+00 -0.509253D+01
      6   0.616164D+01 -0.270546D+01  0.897894D+01 -0.173713D+01  0.590326D+01
                66            67            68            69            70 
      1  -0.235310D+01  0.185642D+01 -0.233816D+02  0.636985D+01 -0.179370D+01
      2   0.335096D+01 -0.103897D+02  0.448672D+02 -0.634928D+01 -0.120252D+00
      3  -0.997857D+00  0.853323D+01 -0.214856D+02 -0.205756D-01  0.191396D+01
      4  -0.439733D+01  0.176473D+02 -0.374719D+02  0.854269D+01  0.148811D+01
      5   0.482830D+01 -0.523993D+01  0.104371D+02 -0.532537D+01  0.603670D+00
      6  -0.256240D+01  0.793580D+01 -0.190466D+02  0.100701D+02 -0.158132D+01
                71            72            73            74            75 
      1   0.569838D+00 -0.546321D+01 -0.296143D+00  0.242046D+00  0.470540D+01
      2   0.560548D+01  0.819018D+00 -0.185882D+01 -0.703809D+00  0.130476D+01
      3  -0.617531D+01  0.464419D+01  0.215497D+01  0.461763D+00 -0.601017D+01
      4  -0.217154D+01 -0.456414D+01  0.700824D+00  0.397906D+01 -0.205279D+01
      5  -0.406211D+01  0.316871D+01 -0.406934D+00 -0.105239D+01  0.610633D+01
      6   0.554599D+01 -0.315692D+01  0.108007D+01 -0.681115D-01  0.123546D+01
                76            77            78            79            80 
      1   0.253171D+01 -0.468088D+01 -0.453474D+01  0.791923D+00  0.787000D+01
      2  -0.230970D+01  0.356891D+01 -0.696300D+01 -0.236313D+01 -0.216334D+00
      3  -0.222016D+00  0.111198D+01  0.114977D+02  0.157120D+01 -0.765366D+01
      4   0.271579D+01 -0.270294D+01  0.344401D+01  0.296489D+00  0.467342D+01
      5   0.226874D+01  0.313460D+01  0.293557D+01  0.659775D+01 -0.407958D+01
      6   0.178612D+01 -0.153991D+01  0.591995D+01 -0.927295D+00  0.823228D+01
                81            82            83            84            85 
      1  -0.347746D+02  0.432007D+01 -0.213711D+01 -0.235318D+01 -0.185639D+01
      2  -0.236986D+02  0.330473D+01  0.957659D+01  0.335108D+01  0.103892D+02
      3   0.584732D+02 -0.762479D+01 -0.743949D+01 -0.997901D+00 -0.853280D+01
      4  -0.336895D+01  0.111443D+02  0.187603D+02  0.439757D+01  0.176471D+02
      5   0.213212D+02  0.725228D+00  0.509277D+01  0.482849D+01  0.524033D+01
      6  -0.138275D+02  0.173733D+01  0.590357D+01  0.256263D+01  0.793618D+01
                86            87            88            89            90 
      1  -0.233816D+02 -0.637030D+01 -0.179380D+01 -0.570258D+00 -0.546335D+01
      2   0.448664D+02  0.634982D+01 -0.120033D+00 -0.560464D+01  0.818933D+00
      3  -0.214848D+02  0.204836D-01  0.191384D+01  0.617489D+01  0.464442D+01
      4   0.374712D+02  0.854325D+01 -0.148775D+01 -0.217083D+01  0.456419D+01
      5   0.104377D+02  0.532571D+01  0.603745D+00  0.406222D+01  0.316896D+01
      6   0.190479D+02  0.100706D+02  0.158147D+01  0.554610D+01  0.315718D+01
                91            92            93            94            95 
      1  -0.296103D+00 -0.242268D+00  0.470525D+01 -0.253173D+01 -0.468073D+01
      2  -0.185874D+01  0.703789D+00  0.130483D+01  0.230965D+01  0.356862D+01
      3   0.215484D+01 -0.461522D+00 -0.601008D+01  0.222075D+00  0.111211D+01
      4  -0.700862D+00  0.397896D+01  0.205271D+01  0.271580D+01  0.270257D+01
      5  -0.406959D+00  0.105231D+01  0.610632D+01 -0.226890D+01  0.313458D+01
      6  -0.108023D+01 -0.680116D-01 -0.123525D+01  0.178618D+01  0.153950D+01
                96            97            98            99           100 
      1   0.453564D+01  0.791885D+00 -0.786906D+01 -0.347743D+02  0.100620D+02
      2   0.696340D+01 -0.236305D+01  0.216741D+00 -0.236989D+02 -0.282682D+01
      3  -0.114990D+02  0.157117D+01  0.765232D+01  0.584732D+02 -0.723519D+01
      4   0.344400D+01 -0.296630D+00  0.467324D+01  0.336848D+01 -0.742842D+01
      5  -0.293600D+01  0.659758D+01  0.407910D+01  0.213209D+02 -0.138434D+01
      6   0.591998D+01  0.927222D+00  0.823166D+01  0.138255D+02  0.168157D+01
               101           102           103           104           105 
      1  -0.848291D+01 -0.609743D+01 -0.331503D+01 -0.111970D+02 -0.103246D+02
      2   0.378451D+01  0.142725D+01  0.307738D+01  0.105381D+02  0.541194D+01
      3   0.469840D+01  0.467018D+01  0.237648D+00  0.658899D+00  0.491266D+01
      4   0.401416D+01  0.869510D+00  0.110658D+02 -0.154838D+02 -0.132013D+02
      5   0.197274D+00 -0.903929D+00  0.889053D+01 -0.140558D+02 -0.169751D+02
      6   0.285382D+01  0.334604D+01 -0.587433D+01  0.170499D+02  0.168995D+02
               106           107           108           109           110 
      1   0.197147D+01 -0.138909D+02 -0.157206D+02  0.888491D+02 -0.137637D+02
      2  -0.352943D+01  0.119908D+02  0.504231D+01 -0.406162D+02  0.432477D+01
      3   0.155797D+01  0.190011D+01  0.106783D+02 -0.482329D+02  0.943889D+01
      4   0.726480D+01 -0.169389D+02 -0.141373D+02 -0.330554D+02  0.162574D+02
      5   0.744970D+01 -0.147523D+02 -0.177852D+02  0.103311D+02 -0.163199D+01
      6  -0.657962D+01  0.183832D+02  0.191657D+02 -0.726376D+01  0.128177D+01
               111           112           113           114           115 
      1   0.959607D+01 -0.509566D+01  0.551191D+01  0.348299D+01  0.303399D+02
      2  -0.416156D+01  0.954119D+00 -0.783469D+00 -0.103263D+01 -0.167965D+02
      3  -0.543451D+01  0.414154D+01 -0.472844D+01 -0.245037D+01 -0.135434D+02
      4  -0.271046D+01  0.100654D+02 -0.320708D+01 -0.191605D+01 -0.239999D+01
      5   0.948926D+01  0.822115D+01 -0.258621D+01 -0.249282D+01  0.119410D+02
      6  -0.352406D+01 -0.148949D+01  0.232334D+01  0.234476D+01 -0.460699D+01
               116           117           118           119           120 
      1  -0.243775D+01  0.524988D+01  0.888491D+02  0.137641D+02  0.959612D+01
      2   0.115160D+01 -0.462458D+01 -0.406161D+02 -0.432490D+01 -0.416163D+01
      3   0.128616D+01 -0.625304D+00 -0.482329D+02 -0.943919D+01 -0.543450D+01
      4  -0.151451D+01 -0.473653D+01  0.330565D+02  0.162579D+02  0.271067D+01
      5  -0.299063D+01  0.535420D+01  0.103314D+02  0.163217D+01  0.948921D+01
      6   0.263349D+01 -0.232908D+00  0.726391D+01  0.128187D+01  0.352410D+01
               121           122           123           124           125 
      1   0.509624D+01  0.551214D+01 -0.348285D+01  0.303397D+02  0.243805D+01
      2  -0.954221D+00 -0.783402D+00  0.103256D+01 -0.167965D+02 -0.115176D+01
      3  -0.414202D+01 -0.472874D+01  0.245029D+01 -0.135433D+02 -0.128629D+01
      4   0.100661D+02  0.320765D+01 -0.191614D+01  0.240047D+01 -0.151450D+01
      5  -0.822102D+01 -0.258631D+01  0.249286D+01  0.119408D+02  0.299052D+01
      6  -0.148948D+01 -0.232335D+01  0.234475D+01  0.460691D+01  0.263350D+01
               126           127           128           129           130 
      1   0.524968D+01  0.100618D+02  0.848325D+01 -0.609752D+01  0.331495D+01
      2  -0.462442D+01 -0.282667D+01 -0.378483D+01  0.142738D+01 -0.307703D+01
      3  -0.625252D+00 -0.723512D+01 -0.469842D+01  0.467014D+01 -0.237921D+00
      4   0.473648D+01  0.742825D+01  0.401396D+01 -0.869251D+00  0.110658D+02
      5   0.535433D+01 -0.138410D+01 -0.196995D+00 -0.904221D+00 -0.889005D+01
      6   0.232923D+00 -0.168143D+01  0.285417D+01 -0.334636D+01 -0.587429D+01
               131           132           133           134           135 
      1  -0.111977D+02  0.103250D+02  0.197136D+01  0.138913D+02 -0.157205D+02
      2   0.105392D+02 -0.541259D+01 -0.352962D+01 -0.119916D+02  0.504291D+01
      3   0.658527D+00 -0.491237D+01  0.155826D+01 -0.189973D+01  0.106776D+02
      4   0.154843D+02 -0.132012D+02 -0.726443D+01 -0.169387D+02  0.141367D+02
      5  -0.140557D+02  0.169746D+02  0.744901D+01  0.147517D+02 -0.177840D+02
      6  -0.170503D+02  0.168994D+02  0.657919D+01  0.183830D+02 -0.191651D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 18:15:51 2021, MaxMem= 10737418240 cpu:            5339.8 elap:             334.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.21374 -10.20835 -10.20833 -10.20151 -10.20150
 Alpha  occ. eigenvalues --  -10.18513 -10.18513  -0.90721  -0.83049  -0.72924
 Alpha  occ. eigenvalues --   -0.72071  -0.59408  -0.57027  -0.50035  -0.48313
 Alpha  occ. eigenvalues --   -0.46116  -0.45949  -0.44469  -0.43782  -0.36264
 Alpha  occ. eigenvalues --   -0.32331  -0.32097  -0.28555  -0.26263  -0.25654
 Alpha virt. eigenvalues --   -0.01879  -0.01416  -0.00640   0.00952   0.01145
 Alpha virt. eigenvalues --    0.01209   0.02805   0.03694   0.03717   0.03985
 Alpha virt. eigenvalues --    0.06147   0.06444   0.06525   0.07828   0.08041
 Alpha virt. eigenvalues --    0.09230   0.09601   0.09695   0.09911   0.10813
 Alpha virt. eigenvalues --    0.11333   0.11654   0.12058   0.12549   0.12921
 Alpha virt. eigenvalues --    0.13080   0.13699   0.14672   0.14737   0.15161
 Alpha virt. eigenvalues --    0.15339   0.15603   0.17297   0.18743   0.19044
 Alpha virt. eigenvalues --    0.20035   0.20187   0.20625   0.21948   0.22181
 Alpha virt. eigenvalues --    0.24105   0.24639   0.24671   0.26565   0.27472
 Alpha virt. eigenvalues --    0.27560   0.28077   0.28731   0.29547   0.30428
 Alpha virt. eigenvalues --    0.31640   0.32582   0.33216   0.34107   0.34840
 Alpha virt. eigenvalues --    0.35207   0.35801   0.36045   0.36598   0.38196
 Alpha virt. eigenvalues --    0.38493   0.40242   0.40803   0.41714   0.42009
 Alpha virt. eigenvalues --    0.43130   0.44427   0.44432   0.45268   0.46745
 Alpha virt. eigenvalues --    0.47365   0.47437   0.48352   0.51103   0.51223
 Alpha virt. eigenvalues --    0.51490   0.51642   0.52112   0.52766   0.54385
 Alpha virt. eigenvalues --    0.54853   0.55275   0.56470   0.56996   0.57727
 Alpha virt. eigenvalues --    0.59012   0.59080   0.59097   0.60115   0.61162
 Alpha virt. eigenvalues --    0.62029   0.62505   0.62776   0.63505   0.63613
 Alpha virt. eigenvalues --    0.64536   0.66115   0.67407   0.68395   0.69186
 Alpha virt. eigenvalues --    0.69399   0.71009   0.73958   0.74812   0.75601
 Alpha virt. eigenvalues --    0.76169   0.77168   0.85007   0.86854   0.87231
 Alpha virt. eigenvalues --    0.89979   0.91272   0.91526   0.92529   0.95551
 Alpha virt. eigenvalues --    0.96080   0.98489   0.99527   1.00982   1.01432
 Alpha virt. eigenvalues --    1.03539   1.03769   1.05471   1.05757   1.10966
 Alpha virt. eigenvalues --    1.12540   1.14209   1.17808   1.20680   1.21286
 Alpha virt. eigenvalues --    1.21514   1.25857   1.28981   1.33022   1.33590
 Alpha virt. eigenvalues --    1.34227   1.34445   1.39049   1.40895   1.42325
 Alpha virt. eigenvalues --    1.45051   1.46756   1.47650   1.48846   1.50927
 Alpha virt. eigenvalues --    1.55341   1.56139   1.57275   1.58241   1.60955
 Alpha virt. eigenvalues --    1.63155   1.66137   1.68130   1.70653   1.73354
 Alpha virt. eigenvalues --    1.75975   1.76254   1.76618   1.77606   1.79853
 Alpha virt. eigenvalues --    1.79949   1.80225   1.82384   1.86186   1.88053
 Alpha virt. eigenvalues --    1.89415   1.90664   1.90733   1.93096   1.94117
 Alpha virt. eigenvalues --    1.97301   1.98873   1.99239   2.00547   2.03487
 Alpha virt. eigenvalues --    2.08732   2.09882   2.10634   2.15763   2.17591
 Alpha virt. eigenvalues --    2.18955   2.20494   2.27414   2.29079   2.31325
 Alpha virt. eigenvalues --    2.35301   2.36051   2.36898   2.39649   2.42306
 Alpha virt. eigenvalues --    2.43566   2.50246   2.51597   2.52492   2.54622
 Alpha virt. eigenvalues --    2.61189   2.72335   2.76558   2.77597   2.83098
 Alpha virt. eigenvalues --    2.85422   2.98635   3.02609   3.03763   3.11650
 Alpha virt. eigenvalues --    3.40324   3.41165   3.81684
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    7.918770  -0.635254   1.141219  -0.843110  -0.911987  -0.866905
     2  C   -0.635254   9.004883  -1.012369  -0.102895  -0.635285  -1.012354
     3  C    1.141219  -1.012369   7.990857  -1.036488  -0.866924  -0.568460
     4  C   -0.843110  -0.102895  -1.036488   7.557032  -0.176603  -0.060522
     5  C   -0.911987  -0.635285  -0.866924  -0.176603   7.918856   1.141221
     6  C   -0.866905  -1.012354  -0.568460  -0.060522   1.141221   7.990845
     7  C   -0.176606  -0.102861  -0.060514   0.066582  -0.843142  -1.036501
     8  H   -0.079951  -0.059312   0.159370   0.007820  -0.303181   0.048216
     9  H    0.110098  -0.103418   0.007135   0.005284  -0.371122   0.102835
    10  H   -0.303178  -0.059324   0.048215   0.071556  -0.079951   0.159371
    11  H   -0.371103  -0.103416   0.102829   0.013266   0.110095   0.007128
    12  H    0.329875  -0.412693   0.346086  -0.454825  -0.003132   0.044508
    13  H   -0.358271   0.377651   0.115465  -0.354845   0.030567   0.011408
    14  H    0.030568   0.377650   0.011408   0.007260  -0.358268   0.115469
    15  H   -0.003133  -0.412703   0.044506   0.005781   0.329884   0.346091
               7          8          9         10         11         12
     1  C   -0.176606  -0.079951   0.110098  -0.303178  -0.371103   0.329875
     2  C   -0.102861  -0.059312  -0.103418  -0.059324  -0.103416  -0.412693
     3  C   -0.060514   0.159370   0.007135   0.048215   0.102829   0.346086
     4  C    0.066582   0.007820   0.005284   0.071556   0.013266  -0.454825
     5  C   -0.843142  -0.303181  -0.371122  -0.079951   0.110095  -0.003132
     6  C   -1.036501   0.048216   0.102835   0.159371   0.007128   0.044508
     7  C    7.557029   0.071552   0.013270   0.007819   0.005290   0.005779
     8  H    0.071552   2.068541  -0.435953  -0.016455   0.016701   0.001814
     9  H    0.013270  -0.435953   2.175757   0.016701   0.006458   0.000335
    10  H    0.007819  -0.016455   0.016701   2.068551  -0.435955   0.004625
    11  H    0.005290   0.016701   0.006458  -0.435955   2.175755   0.004219
    12  H    0.005779   0.001814   0.000335   0.004625   0.004219   2.398218
    13  H    0.007261   0.002580   0.006038   0.013200   0.015073  -0.613610
    14  H   -0.354849   0.013200   0.015074   0.002580   0.006039   0.002450
    15  H   -0.454835   0.004625   0.004219   0.001814   0.000334  -0.005396
              13         14         15
     1  C   -0.358271   0.030568  -0.003133
     2  C    0.377651   0.377650  -0.412703
     3  C    0.115465   0.011408   0.044506
     4  C   -0.354845   0.007260   0.005781
     5  C    0.030567  -0.358268   0.329884
     6  C    0.011408   0.115469   0.346091
     7  C    0.007261  -0.354849  -0.454835
     8  H    0.002580   0.013200   0.004625
     9  H    0.006038   0.015074   0.004219
    10  H    0.013200   0.002580   0.001814
    11  H    0.015073   0.006039   0.000334
    12  H   -0.613610   0.002450  -0.005396
    13  H    2.382082  -0.000397   0.002450
    14  H   -0.000397   2.382079  -0.613608
    15  H    0.002450  -0.613608   2.398228
 Mulliken charges:
               1
     1  C    1.018966
     2  C    0.891701
     3  C   -0.422335
     4  C    1.294707
     5  C    1.018970
     6  C   -0.422350
     7  C    1.294725
     8  H   -0.499567
     9  H   -0.552713
    10  H   -0.499571
    11  H   -0.552713
    12  H   -0.648256
    13  H   -0.636654
    14  H   -0.636655
    15  H   -0.648256
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.033318
     2  C    0.891701
     3  C   -0.422335
     4  C    0.009797
     5  C   -0.033309
     6  C   -0.422350
     7  C    0.009814
 Electronic spatial extent (au):  <R**2>=            790.8728
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0000    Y=              0.4908    Z=             -0.0000  Tot=              0.4908
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -42.4297   YY=            -42.0284   ZZ=            -41.7227
   XY=             -0.0000   XZ=              0.9675   YZ=             -0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.3694   YY=              0.0319   ZZ=              0.3376
   XY=             -0.0000   XZ=              0.9675   YZ=             -0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=              6.0176  ZZZ=             -0.0001  XYY=             -0.0002
  XXY=             -3.7850  XXZ=             -0.0001  XZZ=              0.0001  YZZ=             -1.3887
  YYZ=              0.0001  XYZ=              4.6076
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -685.2066 YYYY=           -229.1613 ZZZZ=           -174.9936 XXXY=              0.0001
 XXXZ=              9.7303 YYYX=              0.0001 YYYZ=             -0.0000 ZZZX=              5.1590
 ZZZY=             -0.0002 XXYY=           -154.0803 XXZZ=           -158.6472 YYZZ=            -67.7446
 XXYZ=              0.0002 YYXZ=             -4.1701 ZZXY=             -0.0002
 N-N= 2.623669224215D+02 E-N=-1.152896802648D+03  KE= 2.697906008449D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 18:15:52 2021, MaxMem= 10737418240 cpu:               4.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.62471630D-06 1.91961644D-01-8.48895690D-07
 Polarizability= 1.09552914D+02-6.86951035D-06 7.64921559D+01
                -3.63271180D+00-1.75299518D-05 6.98519726D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.3626    2.3637       -0.0000   -0.0000
 2     -2.3626   -2.3637        0.0000    0.0000      -19.0787  -19.0815
 3      0.0000    0.0000       22.8595   22.8620       -0.0000   -0.0000
 4     -0.0000   -0.0000        0.0000    0.0000        0.0000    0.0000
 5     -3.7807   -3.7805       -0.0000   -0.0000        2.3611    2.3637
 6      0.0000    0.0000       -2.3611   -2.3637       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -7.0910   -7.0910       -0.0000   -0.0000
 2     -0.0000   -0.0000       -0.0000    0.0000       -0.0000   -0.0000
 3     -0.0000   -0.0000       -7.0910   -7.0910       -0.0000    0.0000
 4     -7.0910   -7.0910        0.0000    0.0000      -57.2446  -57.2446
 5      0.0000    0.0000       68.5860   68.5860       -0.0000   -0.0000
 6    -11.3414  -11.3414       -0.0000   -0.0000        7.0910    7.0910
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -9.4715   -9.4546       -0.0000    0.0000
 2      9.1844    9.4546       -0.0000   -0.0000       75.8839   76.3261
 3      0.0000   -0.0000      -91.2218  -91.4480        0.0001    0.0000
 4      0.0000    0.0000       -0.0679    0.0000       -0.0000   -0.0000
 5     15.2300   15.1219        0.0000    0.0000       -9.0387   -9.4546
 6     -0.0001   -0.0000        9.4581    9.4546       -0.0000    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       41.9430   41.7934        0.0001    0.0000
 2    -41.5278  -41.7934        0.0007    0.0007      -51.7093  -52.2547
 3     -0.0000   -0.0000      -19.9655  -20.1708       -0.0007   -0.0007
 4     -0.0007   -0.0007       -0.0419    0.0000       -0.0001   -0.0000
 5     72.3480   72.4255        0.0001    0.0000       42.0006   41.7934
 6      0.0007    0.0007      -41.8663  -41.7934        0.0000    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0021   -0.0022      120.7143  120.6111       -0.0008   -0.0009
 2     -0.0027   -0.0028      134.1950  134.0365       -0.0008   -0.0009
 3     -0.0027   -0.0028      120.7866  120.6111       -0.0011   -0.0012
 4    -13.0833  -13.4253        0.0006    0.0006      -35.7590  -36.2007
 5     -0.0003   -0.0003      -45.1856  -45.2214       -0.0006   -0.0006
 6     81.5329   81.4221        0.0003    0.0003       14.0804   13.4253
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.2578   -2.8865   -1.2882   -0.0007   -0.0003    0.0003
 Low frequencies ---  103.5098  177.3399  191.7342
 Diagonal vibrational polarizability:
        3.3186450       2.9187434       2.9466550
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    103.5098               177.3398               191.7342
 Red. masses --      3.2676                 2.6780                 2.5912
 Frc consts  --      0.0206                 0.0496                 0.0561
 IR Inten    --      0.1129                 0.3538                 0.0313
 RamAct Fr= 1--     13.4341                 4.7867                 8.5448
  Dep-P Fr= 1--      0.7363                 0.7500                 0.6408
  Dep-U Fr= 1--      0.8481                 0.8571                 0.7811
 Alpha2 Fr= 1--      0.0031                 0.0000                 0.0169
 Beta2  Fr= 1--      1.8990                 0.6838                 1.1123
 AlphaG Fr= 1--     -0.0058                -0.0000                 0.0111
 Gamma2 Fr= 1--      3.5012                -2.8442                 0.3226
 Delta2 Fr= 1--     -1.4887                 1.3921                 0.4197
 Raman1 Fr= 1--      53.737                 19.147                 34.179
 ROA1   Fr= 1--     288.480               -228.495                 44.401
 CID1   Fr= 1--       5.368                -11.934                  1.299
 Raman2 Fr= 1--      22.788                  8.206                 13.348
 ROA2   Fr= 1--      95.939                -79.398                  4.384
 CID2   Fr= 1--       4.210                 -9.676                  0.328
 Raman3 Fr= 1--      45.576                 16.411                 26.696
 ROA3   Fr= 1--     288.480               -228.495                 44.401
 CID3   Fr= 1--       6.330                -13.923                  1.663
 RC180  Fr= 1--       0.696                  0.714                  0.562
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.11   0.06     0.11   0.12   0.01     0.05   0.05  -0.15
     2   6     0.00  -0.12  -0.00    -0.01  -0.00   0.18     0.00  -0.12  -0.00
     3   6     0.03  -0.04   0.02    -0.00   0.03   0.07     0.06  -0.01  -0.07
     4   6     0.17   0.19  -0.10    -0.10   0.03  -0.12     0.15  -0.01   0.09
     5   6     0.06  -0.11  -0.06     0.11  -0.12   0.01    -0.05   0.05   0.15
     6   6    -0.03  -0.04  -0.02    -0.00  -0.03   0.07    -0.06  -0.01   0.07
     7   6    -0.17   0.19   0.10    -0.10  -0.03  -0.12    -0.15  -0.01  -0.09
     8   1     0.10  -0.09  -0.15     0.06  -0.12  -0.15     0.10   0.09   0.31
     9   1     0.11  -0.19  -0.03     0.27  -0.22   0.05    -0.23   0.15   0.10
    10   1    -0.10  -0.09   0.15     0.06   0.12  -0.15    -0.10   0.09  -0.31
    11   1    -0.11  -0.19   0.03     0.27   0.22   0.05     0.23   0.15  -0.10
    12   1     0.27   0.24  -0.18    -0.32  -0.02  -0.03     0.25  -0.20   0.23
    13   1     0.17   0.32  -0.12     0.00   0.06  -0.39     0.14   0.21   0.11
    14   1    -0.17   0.32   0.12     0.00  -0.06  -0.39    -0.14   0.21  -0.11
    15   1    -0.27   0.24   0.18    -0.32   0.02  -0.03    -0.25  -0.20  -0.23
                      4                      5                      6
                      A                      A                      A
 Frequencies --    320.2068               381.5308               410.9306
 Red. masses --      3.0696                 2.3660                 2.2277
 Frc consts  --      0.1854                 0.2029                 0.2216
 IR Inten    --      3.9930                 0.3955                 1.1010
 RamAct Fr= 1--      1.2821                 4.8512                 1.2444
  Dep-P Fr= 1--      0.7500                 0.6712                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8032                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0068                 0.0000
 Beta2  Fr= 1--      0.1832                 0.6495                 0.1778
 AlphaG Fr= 1--      0.0000                 0.0649                 0.0000
 Gamma2 Fr= 1--     -1.4727                 2.6587                 0.7622
 Delta2 Fr= 1--     -0.6301                -0.1977                 1.4903
 Raman1 Fr= 1--       5.128                 19.405                  4.978
 ROA1   Fr= 1--    -161.541                248.908                120.863
 CID1   Fr= 1--     -31.499                 12.827                 24.281
 Raman2 Fr= 1--       2.198                  7.794                  2.133
 ROA2   Fr= 1--     -30.304                 65.390                  6.371
 CID2   Fr= 1--     -13.788                  8.390                  2.987
 Raman3 Fr= 1--       4.396                 15.587                  4.267
 ROA3   Fr= 1--    -161.541                248.908                120.863
 CID3   Fr= 1--     -36.749                 15.969                 28.328
 RC180  Fr= 1--       0.714                  0.606                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.05     0.16  -0.08   0.04     0.09  -0.05  -0.02
     2   6     0.03  -0.00  -0.00     0.00   0.18  -0.00    -0.10   0.00   0.14
     3   6     0.11   0.22  -0.12    -0.04  -0.00  -0.08    -0.10   0.01  -0.13
     4   6    -0.07  -0.08   0.03     0.05   0.01   0.05     0.01   0.02   0.05
     5   6    -0.02  -0.02   0.05    -0.16  -0.08  -0.04     0.09   0.05  -0.02
     6   6     0.11  -0.22  -0.12     0.04  -0.00   0.08    -0.10  -0.01  -0.13
     7   6    -0.07   0.08   0.03    -0.05   0.01  -0.05     0.01  -0.02   0.05
     8   1    -0.30  -0.14   0.20    -0.38  -0.14  -0.18    -0.02   0.01  -0.03
     9   1     0.16   0.21   0.02    -0.10  -0.20   0.00     0.40   0.15  -0.01
    10   1    -0.30   0.14   0.20     0.38  -0.14   0.18    -0.02  -0.01  -0.03
    11   1     0.16  -0.21   0.02     0.10  -0.20  -0.00     0.40  -0.15  -0.01
    12   1    -0.26  -0.13   0.13     0.29   0.05  -0.04     0.21  -0.22   0.20
    13   1    -0.07  -0.28   0.02    -0.06   0.03   0.32    -0.01   0.33   0.13
    14   1    -0.07   0.28   0.02     0.06   0.03  -0.32    -0.01  -0.33   0.13
    15   1    -0.26   0.13   0.13    -0.29   0.05   0.04     0.21   0.22   0.20
                      7                      8                      9
                      A                      A                      A
 Frequencies --    477.2842               624.2865               663.4059
 Red. masses --      1.9879                 3.2353                 1.2181
 Frc consts  --      0.2668                 0.7429                 0.3159
 IR Inten    --      5.3481                 0.1609                 0.0141
 RamAct Fr= 1--      2.7152                31.3368                 3.5990
  Dep-P Fr= 1--      0.7241                 0.2008                 0.7500
  Dep-U Fr= 1--      0.8399                 0.3344                 0.8571
 Alpha2 Fr= 1--      0.0012                 0.4247                 0.0000
 Beta2  Fr= 1--      0.3801                 1.7466                 0.5141
 AlphaG Fr= 1--      0.0389                -0.4097                -0.0000
 Gamma2 Fr= 1--      0.7292                -0.0551                -4.2353
 Delta2 Fr= 1--     -0.8672                 0.1041                -0.2675
 Raman1 Fr= 1--      10.861                125.347                 14.396
 ROA1   Fr= 1--      42.254                 -1.959               -415.152
 CID1   Fr= 1--       3.890                 -0.016                -28.838
 Raman2 Fr= 1--       4.561                 20.960                  6.170
 ROA2   Fr= 1--      24.439                 -2.155                -99.508
 CID2   Fr= 1--       5.358                 -0.103                -16.129
 Raman3 Fr= 1--       9.123                 41.919                 12.339
 ROA3   Fr= 1--      42.254                 -1.959               -415.152
 CID3   Fr= 1--       4.632                 -0.047                -33.645
 RC180  Fr= 1--       0.680                 -0.331                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.04   0.03     0.19   0.00   0.09     0.06  -0.00   0.01
     2   6     0.00  -0.04  -0.00    -0.00  -0.07  -0.00    -0.00   0.00  -0.02
     3   6     0.06   0.14  -0.12     0.16   0.05   0.15    -0.03   0.04  -0.02
     4   6    -0.01  -0.03   0.02     0.05  -0.01   0.01    -0.04   0.03   0.02
     5   6     0.04  -0.04  -0.03    -0.19   0.00  -0.09     0.06   0.00   0.01
     6   6    -0.06   0.14   0.12    -0.16   0.05  -0.15    -0.03  -0.04  -0.02
     7   6     0.01  -0.03  -0.02    -0.05  -0.01  -0.01    -0.04  -0.03   0.02
     8   1     0.25   0.08  -0.35    -0.16   0.02  -0.10     0.12   0.05  -0.17
     9   1    -0.03  -0.40   0.05    -0.29  -0.00  -0.10     0.11  -0.16   0.06
    10   1    -0.25   0.08   0.35     0.16   0.02   0.10     0.12  -0.05  -0.17
    11   1     0.03  -0.40  -0.05     0.29  -0.00   0.10     0.11   0.16   0.06
    12   1    -0.10  -0.22   0.20    -0.31   0.01   0.09     0.10   0.32  -0.26
    13   1     0.02   0.02  -0.06     0.19  -0.14  -0.33    -0.18  -0.27   0.35
    14   1    -0.02   0.02   0.06    -0.19  -0.14   0.33    -0.18   0.27   0.35
    15   1     0.10  -0.22  -0.20     0.31   0.01  -0.09     0.10  -0.32  -0.26
                     10                     11                     12
                      A                      A                      A
 Frequencies --    695.2540               748.3975               809.3384
 Red. masses --      1.6937                 2.2081                 1.8702
 Frc consts  --      0.4824                 0.7287                 0.7218
 IR Inten    --      0.2411                 4.5576                 2.5587
 RamAct Fr= 1--      9.8263                20.8279                15.0451
  Dep-P Fr= 1--      0.4054                 0.7500                 0.4568
  Dep-U Fr= 1--      0.5769                 0.8571                 0.6271
 Alpha2 Fr= 1--      0.0714                 0.0000                 0.0897
 Beta2  Fr= 1--      0.9448                 2.9754                 1.5726
 AlphaG Fr= 1--      0.5975                -0.0000                -1.1794
 Gamma2 Fr= 1--     -0.0623                 8.6218                -8.6181
 Delta2 Fr= 1--     -2.6286                -3.5379                 6.2593
 Raman1 Fr= 1--      39.305                 83.312                 60.180
 ROA1   Fr= 1--     -90.101                714.480               -627.036
 CID1   Fr= 1--      -2.292                  8.576                -10.419
 Raman2 Fr= 1--      11.338                 35.705                 18.871
 ROA2   Fr= 1--      19.533                235.227               -256.908
 CID2   Fr= 1--       1.723                  6.588                -13.614
 Raman3 Fr= 1--      22.675                 71.410                 37.741
 ROA3   Fr= 1--     -90.101                714.480               -627.036
 CID3   Fr= 1--      -3.974                 10.005                -16.614
 RC180  Fr= 1--       0.154                  0.714                  0.254
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02   0.02    -0.12   0.01   0.03    -0.04   0.05  -0.01
     2   6    -0.00  -0.06  -0.00    -0.02  -0.00   0.18     0.00   0.19   0.00
     3   6    -0.11  -0.03   0.03     0.04  -0.06  -0.04     0.03  -0.07   0.01
     4   6    -0.09   0.06   0.03     0.09  -0.08  -0.05     0.08  -0.07  -0.04
     5   6    -0.05  -0.02  -0.02    -0.12  -0.01   0.03     0.04   0.05   0.01
     6   6     0.11  -0.03  -0.03     0.04   0.06  -0.04    -0.03  -0.07  -0.01
     7   6     0.09   0.06  -0.03     0.09   0.08  -0.05    -0.08  -0.07   0.04
     8   1     0.01  -0.00  -0.01    -0.36  -0.05  -0.28    -0.17   0.01  -0.19
     9   1    -0.15  -0.08  -0.01     0.19  -0.26   0.13     0.29  -0.01   0.05
    10   1    -0.01  -0.00   0.01    -0.36   0.05  -0.28     0.17   0.01   0.19
    11   1     0.15  -0.08   0.01     0.19   0.26   0.13    -0.29  -0.01  -0.05
    12   1    -0.09  -0.24   0.29     0.20   0.02  -0.17     0.02  -0.31   0.18
    13   1     0.01   0.50  -0.20     0.04  -0.20   0.08     0.20   0.20  -0.32
    14   1    -0.01   0.50   0.20     0.04   0.20   0.08    -0.20   0.20   0.32
    15   1     0.09  -0.24  -0.29     0.20  -0.02  -0.17    -0.02  -0.31  -0.18
                     13                     14                     15
                      A                      A                      A
 Frequencies --    886.0447               914.6412               915.3032
 Red. masses --      2.1963                 1.3154                 1.3121
 Frc consts  --      1.0159                 0.6483                 0.6477
 IR Inten    --     38.0224                43.4456                40.7301
 RamAct Fr= 1--      5.2265                 3.4807                12.4544
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7439
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8531
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0013
 Beta2  Fr= 1--      0.7466                 0.4972                 1.7709
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0467
 Gamma2 Fr= 1--      1.4044                 1.0644                 2.1452
 Delta2 Fr= 1--      0.4113                 0.2287                -1.7889
 Raman1 Fr= 1--      20.906                 13.923                 49.818
 ROA1   Fr= 1--     147.981                109.502                148.699
 CID1   Fr= 1--       7.078                  7.865                  2.985
 Raman2 Fr= 1--       8.960                  5.967                 21.250
 ROA2   Fr= 1--      30.414                 23.717                 65.797
 CID2   Fr= 1--       3.395                  3.975                  3.096
 Raman3 Fr= 1--      17.919                 11.934                 42.501
 ROA3   Fr= 1--     147.981                109.502                148.699
 CID3   Fr= 1--       8.258                  9.176                  3.499
 RC180  Fr= 1--       0.714                  0.714                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.16  -0.09     0.00   0.01  -0.01     0.00   0.01  -0.00
     2   6    -0.10   0.00  -0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.05   0.03   0.08     0.01   0.02  -0.02     0.01   0.02  -0.02
     4   6     0.01   0.05   0.05    -0.03  -0.08   0.08    -0.03  -0.08   0.07
     5   6    -0.01   0.16  -0.09     0.00  -0.01  -0.01    -0.00   0.01   0.00
     6   6     0.05  -0.03   0.08     0.01  -0.02  -0.02    -0.01   0.02   0.02
     7   6     0.01  -0.05   0.05    -0.03   0.08   0.08     0.03  -0.08  -0.07
     8   1    -0.21   0.13  -0.36    -0.03  -0.02   0.02     0.04   0.03  -0.03
     9   1     0.29  -0.01  -0.01     0.02   0.03  -0.02    -0.03  -0.03   0.01
    10   1    -0.21  -0.13  -0.36    -0.03   0.02   0.02    -0.04   0.03   0.03
    11   1     0.29   0.01  -0.01     0.02  -0.03  -0.02     0.03  -0.03  -0.01
    12   1    -0.30   0.12   0.08     0.14   0.37  -0.34     0.15   0.36  -0.34
    13   1     0.11  -0.11  -0.19     0.12   0.32  -0.30     0.12   0.32  -0.30
    14   1     0.11   0.11  -0.19     0.12  -0.32  -0.30    -0.12   0.32   0.30
    15   1    -0.30  -0.12   0.08     0.14  -0.37  -0.34    -0.15   0.36   0.35
                     16                     17                     18
                      A                      A                      A
 Frequencies --    949.9981              1002.4155              1025.8397
 Red. masses --      2.1793                 1.4787                 1.2819
 Frc consts  --      1.1588                 0.8755                 0.7948
 IR Inten    --      2.8694                 1.6759                 2.0820
 RamAct Fr= 1--     53.3121                 1.7899                 2.7496
  Dep-P Fr= 1--      0.0165                 0.7500                 0.7500
  Dep-U Fr= 1--      0.0324                 0.8571                 0.8571
 Alpha2 Fr= 1--      1.1399                 0.0000                 0.0000
 Beta2  Fr= 1--      0.2880                 0.2557                 0.3928
 AlphaG Fr= 1--      0.9758                 0.0000                -0.0000
 Gamma2 Fr= 1--      1.3770                 4.8305                 2.3081
 Delta2 Fr= 1--      1.7532                -1.4430                -0.8594
 Raman1 Fr= 1--     213.249                  7.160                 10.998
 ROA1   Fr= 1--     188.297                417.554                194.080
 CID1   Fr= 1--       0.883                 58.320                 17.646
 Raman2 Fr= 1--       3.456                  3.068                  4.714
 ROA2   Fr= 1--      19.023                127.476                 62.270
 CID2   Fr= 1--       5.504                 41.544                 13.211
 Raman3 Fr= 1--       6.913                  6.137                  9.427
 ROA3   Fr= 1--     188.297                417.554                194.080
 CID3   Fr= 1--      27.238                 68.040                 20.587
 RC180  Fr= 1--      -0.935                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.09   0.17    -0.01   0.06  -0.09    -0.09   0.02   0.02
     2   6    -0.00  -0.04  -0.00    -0.06  -0.00   0.09    -0.00  -0.00   0.02
     3   6    -0.02  -0.03  -0.04    -0.00  -0.03   0.03     0.00   0.03  -0.04
     4   6     0.02  -0.07  -0.08     0.03   0.01   0.01     0.02  -0.00   0.02
     5   6    -0.04   0.09  -0.17    -0.01  -0.06  -0.09    -0.09  -0.02   0.02
     6   6     0.02  -0.03   0.04    -0.00   0.03   0.03     0.00  -0.03  -0.04
     7   6    -0.02  -0.07   0.08     0.03  -0.01   0.01     0.02   0.00   0.02
     8   1     0.33   0.21  -0.04     0.02  -0.11   0.33     0.59   0.24  -0.05
     9   1    -0.12   0.21  -0.21     0.14   0.41  -0.20     0.21  -0.01   0.05
    10   1    -0.33   0.21   0.04     0.02   0.11   0.33     0.59  -0.24  -0.05
    11   1     0.12   0.21   0.21     0.14  -0.41  -0.20     0.21   0.01   0.05
    12   1     0.34  -0.17  -0.08    -0.04   0.18  -0.12    -0.09  -0.00   0.04
    13   1    -0.07   0.08   0.17     0.00  -0.28   0.07     0.08  -0.06  -0.12
    14   1     0.07   0.08  -0.17     0.00   0.28   0.07     0.08   0.06  -0.12
    15   1    -0.34  -0.17   0.08    -0.04  -0.18  -0.12    -0.09   0.00   0.04
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1035.6499              1058.7392              1075.3287
 Red. masses --      1.4966                 1.3384                 1.6179
 Frc consts  --      0.9458                 0.8839                 1.1023
 IR Inten    --      0.8896                 0.1480                 4.0492
 RamAct Fr= 1--      0.2958                 9.9688                 0.1560
  Dep-P Fr= 1--      0.3782                 0.5567                 0.7500
  Dep-U Fr= 1--      0.5488                 0.7152                 0.8571
 Alpha2 Fr= 1--      0.0024                 0.0367                 0.0000
 Beta2  Fr= 1--      0.0271                 1.1883                 0.0223
 AlphaG Fr= 1--     -0.1014                 0.4576                 0.0000
 Gamma2 Fr= 1--      0.6918                 1.6117                 1.1428
 Delta2 Fr= 1--      0.1004                 4.3537                 0.2209
 Raman1 Fr= 1--       1.183                 39.875                  0.624
 ROA1   Fr= 1--      69.626                294.047                116.776
 CID1   Fr= 1--      58.844                  7.374                187.120
 Raman2 Fr= 1--       0.325                 14.260                  0.267
 ROA2   Fr= 1--      15.800                  3.852                 25.660
 CID2   Fr= 1--      48.660                  0.270                 95.941
 Raman3 Fr= 1--       0.649                 28.520                  0.535
 ROA3   Fr= 1--      69.626                294.047                116.776
 CID3   Fr= 1--     107.213                 10.310                218.307
 RC180  Fr= 1--       0.098                  0.430                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.08   0.07    -0.11   0.01   0.03    -0.05   0.04   0.03
     2   6    -0.00  -0.00   0.00     0.00   0.06  -0.00     0.09  -0.00  -0.16
     3   6     0.03   0.07  -0.07    -0.00  -0.01   0.00    -0.01  -0.04   0.06
     4   6    -0.00  -0.01   0.01     0.02  -0.01  -0.01    -0.03   0.00  -0.02
     5   6     0.03  -0.08  -0.07     0.11   0.01  -0.03    -0.05  -0.04   0.03
     6   6    -0.03   0.07   0.07     0.00  -0.01  -0.00    -0.01   0.04   0.06
     7   6     0.00  -0.01  -0.01    -0.02  -0.01   0.01    -0.03  -0.00  -0.02
     8   1    -0.20  -0.23   0.35    -0.18  -0.11   0.10    -0.12  -0.06  -0.01
     9   1     0.16   0.40  -0.18    -0.64  -0.12  -0.08     0.61   0.18   0.06
    10   1     0.20  -0.23  -0.35     0.18  -0.11  -0.10    -0.12   0.06  -0.01
    11   1    -0.16   0.40   0.18     0.64  -0.12   0.08     0.61  -0.18   0.06
    12   1    -0.04  -0.09   0.08     0.02  -0.02  -0.00     0.11  -0.06  -0.01
    13   1     0.04   0.11  -0.10     0.03  -0.03  -0.04    -0.07   0.14   0.08
    14   1    -0.04   0.11   0.10    -0.03  -0.03   0.04    -0.07  -0.14   0.08
    15   1     0.04  -0.09  -0.08    -0.02  -0.02   0.00     0.11   0.06  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1091.3070              1128.8599              1156.0010
 Red. masses --      1.5642                 2.0981                 2.4078
 Frc consts  --      1.0976                 1.5753                 1.8958
 IR Inten    --      1.8937                28.2433                 7.3787
 RamAct Fr= 1--      1.2353                 0.7525                 2.6840
  Dep-P Fr= 1--      0.3370                 0.7500                 0.4151
  Dep-U Fr= 1--      0.5041                 0.8571                 0.5867
 Alpha2 Fr= 1--      0.0113                 0.0000                 0.0188
 Beta2  Fr= 1--      0.1038                 0.1075                 0.2625
 AlphaG Fr= 1--      0.2154                 0.0000                 0.2662
 Gamma2 Fr= 1--     -1.9437                -1.1506                -2.3867
 Delta2 Fr= 1--      0.8016                -0.4411                -1.1082
 Raman1 Fr= 1--       4.941                  3.010                 10.736
 ROA1   Fr= 1--    -160.942               -124.573               -264.585
 CID1   Fr= 1--     -32.572                -41.388                -24.644
 Raman2 Fr= 1--       1.245                  1.290                  3.149
 ROA2   Fr= 1--     -53.061                -24.085                -48.415
 CID2   Fr= 1--     -42.608                -18.672                -15.372
 Raman3 Fr= 1--       2.491                  2.580                  6.299
 ROA3   Fr= 1--    -160.942               -124.573               -264.585
 CID3   Fr= 1--     -64.618                -48.286                -42.005
 RC180  Fr= 1--       0.008                  0.714                  0.173
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07   0.01    -0.04  -0.04  -0.08    -0.00  -0.10  -0.07
     2   6     0.00   0.16   0.00    -0.04   0.00   0.09    -0.00   0.12   0.00
     3   6    -0.04  -0.03  -0.02     0.11   0.07   0.09     0.11   0.05   0.12
     4   6     0.04   0.02   0.03    -0.08  -0.03  -0.06    -0.08  -0.03  -0.06
     5   6    -0.03  -0.07  -0.01    -0.04   0.04  -0.08     0.00  -0.10   0.07
     6   6     0.04  -0.03   0.02     0.11  -0.07   0.09    -0.11   0.05  -0.12
     7   6    -0.04   0.02  -0.03    -0.08   0.03  -0.06     0.08  -0.03   0.06
     8   1     0.54   0.10   0.18     0.19   0.12  -0.01     0.26  -0.01   0.12
     9   1    -0.11   0.09  -0.06    -0.07   0.05  -0.08    -0.08   0.01   0.03
    10   1    -0.54   0.10  -0.18     0.19  -0.12  -0.01    -0.26  -0.01  -0.12
    11   1     0.11   0.09   0.06    -0.07  -0.05  -0.08     0.08   0.01  -0.03
    12   1    -0.21   0.09   0.04     0.38  -0.17  -0.06     0.34  -0.19  -0.03
    13   1     0.12  -0.15  -0.17    -0.20   0.29   0.29    -0.18   0.33   0.23
    14   1    -0.12  -0.15   0.17    -0.20  -0.29   0.29     0.18   0.33  -0.23
    15   1     0.21   0.09  -0.04     0.38   0.17  -0.06    -0.34  -0.19   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1309.2214              1444.3783              1445.4673
 Red. masses --      3.4845                 1.0925                 1.0902
 Frc consts  --      3.5190                 1.3429                 1.3421
 IR Inten    --     25.2821                 0.8215                 2.2876
 RamAct Fr= 1--      7.5231                33.8034                13.7449
  Dep-P Fr= 1--      0.7500                 0.5270                 0.7500
  Dep-U Fr= 1--      0.8571                 0.6903                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.1462                 0.0000
 Beta2  Fr= 1--      1.0747                 3.8890                 1.9636
 AlphaG Fr= 1--      0.0000                -0.0993                -0.0000
 Gamma2 Fr= 1--     -2.1570                -9.9479                 5.8704
 Delta2 Fr= 1--     -3.5781                 3.5440                 0.1760
 Raman1 Fr= 1--      30.093                135.214                 54.980
 ROA1   Fr= 1--    -321.575               -841.591                569.190
 CID1   Fr= 1--     -10.686                 -6.224                 10.353
 Raman2 Fr= 1--      12.897                 46.668                 23.563
 ROA2   Fr= 1--     -23.144               -267.103                139.482
 CID2   Fr= 1--      -1.795                 -5.724                  5.920
 Raman3 Fr= 1--      25.794                 93.335                 47.126
 ROA3   Fr= 1--    -321.575               -841.591                569.190
 CID3   Fr= 1--     -12.467                 -9.017                 12.078
 RC180  Fr= 1--       0.714                  0.381                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.03  -0.06    -0.02  -0.02  -0.03    -0.01  -0.03  -0.04
     2   6     0.37  -0.00   0.17    -0.00   0.00  -0.00    -0.01  -0.00  -0.01
     3   6     0.01  -0.07  -0.07     0.02  -0.03  -0.02     0.01  -0.02  -0.01
     4   6    -0.07   0.07   0.05     0.01  -0.01  -0.00     0.01  -0.01  -0.00
     5   6    -0.06   0.03  -0.06     0.02  -0.02   0.03    -0.01   0.03  -0.04
     6   6     0.01   0.07  -0.07    -0.02  -0.03   0.02     0.01   0.02  -0.01
     7   6    -0.07  -0.07   0.05    -0.01  -0.01   0.00     0.01   0.01  -0.00
     8   1    -0.08   0.06  -0.19    -0.02   0.04  -0.38     0.01  -0.05   0.45
     9   1    -0.10   0.15  -0.11    -0.13   0.35  -0.10     0.15  -0.42   0.11
    10   1    -0.08  -0.06  -0.19     0.02   0.04   0.38     0.01   0.05   0.45
    11   1    -0.10  -0.15  -0.11     0.13   0.35   0.10     0.15   0.42   0.11
    12   1    -0.38   0.19   0.05    -0.31   0.11  -0.01    -0.19   0.07  -0.01
    13   1    -0.15   0.24   0.19    -0.07   0.22   0.21    -0.05   0.14   0.13
    14   1    -0.15  -0.24   0.19     0.07   0.22  -0.21    -0.05  -0.14   0.13
    15   1    -0.38  -0.19   0.05     0.31   0.11   0.01    -0.19  -0.07  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1471.7454              1489.5646              1805.3585
 Red. masses --      1.1512                 1.3790                 8.6900
 Frc consts  --      1.4691                 1.8028                16.6878
 IR Inten    --      0.4636                 3.9821                 9.4961
 RamAct Fr= 1--     10.4539                20.5852               222.5747
  Dep-P Fr= 1--      0.1098                 0.7500                 0.1062
  Dep-U Fr= 1--      0.1978                 0.8571                 0.1920
 Alpha2 Fr= 1--      0.1787                 0.0000                 3.8384
 Beta2  Fr= 1--      0.3447                 2.9407                 7.1209
 AlphaG Fr= 1--      0.0901                -0.0000                 2.2669
 Gamma2 Fr= 1--      0.6390                -1.0708               -27.1436
 Delta2 Fr= 1--      0.7229                -6.2512                 9.5186
 Raman1 Fr= 1--      41.816                 82.341                890.299
 ROA1   Fr= 1--      84.480               -302.837              -2301.188
 CID1   Fr= 1--       2.020                 -3.678                 -2.585
 Raman2 Fr= 1--       4.136                 35.289                 85.451
 ROA2   Fr= 1--       9.553                 24.310               -727.595
 CID2   Fr= 1--       2.310                  0.689                 -8.515
 Raman3 Fr= 1--       8.272                 70.578                170.902
 ROA3   Fr= 1--      84.480               -302.837              -2301.188
 CID3   Fr= 1--      10.212                 -4.291                -13.465
 RC180  Fr= 1--      -0.604                  0.714                 -0.616
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.04    -0.01  -0.04  -0.04    -0.01   0.06   0.06
     2   6     0.00  -0.02   0.00     0.10  -0.00   0.03    -0.00   0.06  -0.00
     3   6    -0.03   0.02   0.01    -0.03   0.01   0.00     0.34  -0.29  -0.18
     4   6    -0.03   0.03   0.02    -0.06   0.05   0.03    -0.23   0.20   0.12
     5   6     0.00  -0.03   0.04    -0.01   0.04  -0.04     0.01   0.06  -0.06
     6   6     0.03   0.02  -0.01    -0.03  -0.01   0.00    -0.34  -0.29   0.18
     7   6     0.03   0.03  -0.02    -0.06  -0.05   0.03     0.23   0.20  -0.12
     8   1    -0.01   0.02  -0.32    -0.03  -0.01   0.18     0.02   0.05   0.04
     9   1    -0.09   0.30  -0.07     0.05  -0.18   0.03     0.03  -0.03  -0.04
    10   1     0.01   0.02   0.32    -0.03   0.01   0.18    -0.02   0.05  -0.04
    11   1     0.09   0.30   0.07     0.05   0.18   0.03    -0.03  -0.03   0.04
    12   1     0.36  -0.11   0.02     0.43  -0.13   0.04     0.20   0.07   0.16
    13   1     0.08  -0.28  -0.26     0.08  -0.32  -0.32    -0.16  -0.10  -0.18
    14   1    -0.08  -0.28   0.26     0.08   0.32  -0.32     0.16  -0.10   0.18
    15   1    -0.36  -0.11  -0.02     0.43   0.13   0.04    -0.20   0.07  -0.16
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1848.5134              3093.6953              3094.2841
 Red. masses --      9.4405                 1.0511                 1.0513
 Frc consts  --     19.0061                 5.9271                 5.9308
 IR Inten    --     51.9886                13.4649                18.2833
 RamAct Fr= 1--     65.1540               438.1520                37.5576
  Dep-P Fr= 1--      0.7500                 0.0298                 0.7499
  Dep-U Fr= 1--      0.8571                 0.0579                 0.8571
 Alpha2 Fr= 1--      0.0000                 9.0791                 0.0000
 Beta2  Fr= 1--      9.3077                 4.2274                 5.3651
 AlphaG Fr= 1--      0.0000                 1.5236                 0.0000
 Gamma2 Fr= 1--     26.8889               -22.3243                30.0115
 Delta2 Fr= 1--    -15.0724                -2.1149               -11.3068
 Raman1 Fr= 1--     260.616               1752.608                150.230
 ROA1   Fr= 1--    2099.014              -2210.812               2519.283
 CID1   Fr= 1--       8.054                 -1.261                 16.769
 Raman2 Fr= 1--     111.693                 50.728                 64.382
 ROA2   Fr= 1--     765.912               -518.865                810.730
 CID2   Fr= 1--       6.857                -10.228                 12.593
 Raman3 Fr= 1--     223.385                101.457                128.763
 ROA3   Fr= 1--    2099.014              -2210.812               2519.283
 CID3   Fr= 1--       9.396                -21.791                 19.565
 RC180  Fr= 1--       0.714                 -0.884                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.08   0.08    -0.01  -0.03  -0.03    -0.01  -0.03  -0.03
     2   6    -0.28   0.00  -0.05    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     3   6     0.35  -0.30  -0.18    -0.00   0.00   0.00    -0.00   0.00   0.00
     4   6    -0.21   0.19   0.11     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00  -0.08   0.08     0.01  -0.03   0.03    -0.01   0.03  -0.03
     6   6     0.35   0.30  -0.18     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.21  -0.19   0.11    -0.00  -0.00   0.00     0.00   0.00  -0.00
     8   1     0.04  -0.06   0.00    -0.17   0.47   0.09     0.17  -0.47  -0.09
     9   1    -0.01   0.02   0.07     0.06  -0.14  -0.46    -0.06   0.14   0.46
    10   1     0.04   0.06   0.00     0.17   0.47  -0.09     0.17   0.47  -0.09
    11   1    -0.01  -0.02   0.07    -0.06  -0.14   0.46    -0.06  -0.14   0.47
    12   1     0.16   0.09   0.15     0.00   0.01   0.01     0.00   0.01   0.01
    13   1    -0.15  -0.09  -0.15    -0.01  -0.00  -0.00    -0.01  -0.00  -0.01
    14   1    -0.15   0.09  -0.15     0.01  -0.00   0.00    -0.01   0.00  -0.01
    15   1     0.16  -0.09   0.15    -0.00   0.01  -0.01     0.00  -0.01   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3132.6092              3132.8525              3171.9668
 Red. masses --      1.0573                 1.0573                 1.1170
 Frc consts  --      6.1129                 6.1138                 6.6213
 IR Inten    --     16.8296                 5.4329                 5.3986
 RamAct Fr= 1--     60.0890               356.1618               185.1047
  Dep-P Fr= 1--      0.7498                 0.0457                 0.7465
  Dep-U Fr= 1--      0.8570                 0.0875                 0.8549
 Alpha2 Fr= 1--      0.0002                 7.1072                 0.0109
 Beta2  Fr= 1--      8.5828                 5.1911                26.3734
 AlphaG Fr= 1--     -0.0001                -2.3363                -0.2827
 Gamma2 Fr= 1--    -13.6908                12.0572                -8.6716
 Delta2 Fr= 1--     -9.2611                 1.0533                 0.5279
 Raman1 Fr= 1--     240.356               1424.647                740.419
 ROA1   Fr= 1--   -1610.670               1191.194               -815.577
 CID1   Fr= 1--      -6.701                  0.836                 -1.102
 Raman2 Fr= 1--     102.994                 62.293                316.481
 ROA2   Fr= 1--    -254.489                280.946               -212.341
 CID2   Fr= 1--      -2.471                  4.510                 -0.671
 Raman3 Fr= 1--     205.988                124.586                632.963
 ROA3   Fr= 1--   -1610.670               1191.194               -815.577
 CID3   Fr= 1--      -7.819                  9.561                 -1.289
 RC180  Fr= 1--       0.714                 -0.825                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.02  -0.05   0.05
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.03   0.03   0.02    -0.03   0.03   0.02     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02  -0.05  -0.05
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     7   6    -0.03  -0.03   0.02     0.03   0.03  -0.02    -0.00   0.00  -0.00
     8   1     0.00  -0.01  -0.00    -0.00   0.01   0.00    -0.16   0.45   0.07
     9   1    -0.00   0.00   0.02     0.00  -0.00  -0.01    -0.06   0.13   0.49
    10   1     0.00   0.01  -0.00     0.00   0.01  -0.00     0.16   0.45  -0.07
    11   1    -0.00  -0.00   0.02    -0.00  -0.00   0.01     0.06   0.13  -0.49
    12   1    -0.11  -0.31  -0.38    -0.11  -0.31  -0.38    -0.00  -0.00   0.00
    13   1     0.46  -0.00   0.19     0.46  -0.00   0.19    -0.00   0.00  -0.00
    14   1     0.46   0.00   0.19    -0.46  -0.00  -0.19     0.00   0.00   0.00
    15   1    -0.11   0.31  -0.38     0.11  -0.31   0.38     0.00  -0.00  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   3172.8859              3212.6937              3212.7775
 Red. masses --      1.1156                 1.1164                 1.1164
 Frc consts  --      6.6173                 6.7893                 6.7896
 IR Inten    --      5.4492                12.7560                 1.7202
 RamAct Fr= 1--     30.1926                52.3752               226.0401
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7079
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8290
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.1652
 Beta2  Fr= 1--      4.3132                 7.4820                31.2295
 AlphaG Fr= 1--     -0.0000                 0.0001                 0.5984
 Gamma2 Fr= 1--     33.1663               -23.1472                16.2422
 Delta2 Fr= 1--      8.6824                 4.6492                 5.2755
 Raman1 Fr= 1--     120.770                209.501                904.161
 ROA1   Fr= 1--    3461.804              -2073.360               1728.067
 CID1   Fr= 1--      28.664                 -9.897                  1.911
 Raman2 Fr= 1--      51.759                 89.784                374.754
 ROA2   Fr= 1--     726.533               -592.726                347.610
 CID2   Fr= 1--      14.037                 -6.602                  0.928
 Raman3 Fr= 1--     103.518                179.567                749.509
 ROA3   Fr= 1--    3461.804              -2073.360               1728.067
 CID3   Fr= 1--      33.442                -11.546                  2.306
 RC180  Fr= 1--       0.714                  0.714                  0.658
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.05  -0.05    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.05  -0.02  -0.05    -0.05  -0.03  -0.05
     5   6     0.02  -0.05  -0.05    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.00   0.00   0.00    -0.05   0.03  -0.05     0.05  -0.02   0.05
     8   1    -0.16   0.45   0.07    -0.00   0.00   0.00     0.00  -0.00  -0.00
     9   1    -0.06   0.13   0.49     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1    -0.16  -0.46   0.07    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   1    -0.06  -0.13   0.49     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   1     0.00   0.00  -0.00     0.10   0.31   0.37     0.10   0.32   0.38
    13   1    -0.00  -0.00  -0.00     0.46  -0.01   0.18     0.47  -0.01   0.18
    14   1    -0.00   0.00  -0.00     0.47   0.01   0.18    -0.46  -0.01  -0.18
    15   1     0.00  -0.00  -0.00     0.10  -0.31   0.38    -0.10   0.31  -0.37

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Molecular mass:    92.06260 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   360.58436 960.890031017.99593
           X            1.00000  -0.00000   0.00102
           Y            0.00000   1.00000  -0.00000
           Z           -0.00102   0.00000   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.24020     0.09014     0.08508
 Rotational constants (GHZ):           5.00505     1.87820     1.77284
 Zero-point vibrational energy     322282.1 (Joules/Mol)
                                   77.02727 (Kcal/Mol)
 Warning -- explicit consideration of   7 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    148.93   255.15   275.86   460.71   548.94
          (Kelvin)            591.24   686.71   898.21   954.49  1000.32
                             1076.78  1164.46  1274.82  1315.96  1316.92
                             1366.84  1442.25  1475.95  1490.07  1523.29
                             1547.16  1570.15  1624.18  1663.23  1883.68
                             2078.14  2079.71  2117.51  2143.15  2597.51
                             2659.60  4451.14  4451.98  4507.13  4507.48
                             4563.75  4565.08  4622.35  4622.47
 
 Zero-point correction=                           0.122751 (Hartree/Particle)
 Thermal correction to Energy=                    0.129773
 Thermal correction to Enthalpy=                  0.130717
 Thermal correction to Gibbs Free Energy=         0.092005
 Sum of electronic and zero-point Energies=           -271.411651
 Sum of electronic and thermal Energies=              -271.404629
 Sum of electronic and thermal Enthalpies=            -271.403685
 Sum of electronic and thermal Free Energies=         -271.442398
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   81.434             26.525             81.477
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.471
 Rotational               0.889              2.981             27.358
 Vibrational             79.656             20.563             14.647
 Vibration     1          0.605              1.946              3.387
 Vibration     2          0.628              1.870              2.356
 Vibration     3          0.634              1.851              2.211
 Vibration     4          0.706              1.635              1.309
 Vibration     5          0.751              1.510              1.033
 Vibration     6          0.775              1.446              0.923
 Vibration     7          0.834              1.300              0.717
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.479622D-42        -42.319101        -97.443331
 Total V=0       0.138766D+15         14.142284         32.563813
 Vib (Bot)       0.649772D-55        -55.187239       -127.073313
 Vib (Bot)    1  0.198132D+01          0.296954          0.683763
 Vib (Bot)    2  0.113361D+01          0.054462          0.125404
 Vib (Bot)    3  0.104318D+01          0.018360          0.042274
 Vib (Bot)    4  0.586993D+00         -0.231367         -0.532743
 Vib (Bot)    5  0.473387D+00         -0.324784         -0.747843
 Vib (Bot)    6  0.430240D+00         -0.366289         -0.843413
 Vib (Bot)    7  0.351228D+00         -0.454411         -1.046321
 Vib (V=0)       0.187995D+02          1.274146          2.933831
 Vib (V=0)    1  0.254343D+01          0.405421          0.933515
 Vib (V=0)    2  0.173898D+01          0.240294          0.553297
 Vib (V=0)    3  0.165682D+01          0.219275          0.504898
 Vib (V=0)    4  0.127108D+01          0.104172          0.239865
 Vib (V=0)    5  0.118855D+01          0.075016          0.172730
 Vib (V=0)    6  0.115963D+01          0.064318          0.148097
 Vib (V=0)    7  0.111103D+01          0.045727          0.105290
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.347199D+08          7.540579         17.362824
 Rotational      0.212598D+06          5.327559         12.267158
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333333                                                1 1          1111     1    11111111                                       
   22111100                                                8 8          4444     3    110000009998   8 7 66 6     4 43  3   11  1    
   11773399                                                4 0          9744     0    529753205118   0 4 96 2     7 18  2   97  0    
   33323344                                                9 5          0254     9    691596620556   9 8 53 4     7 12  0   27  4    
 
   XXXXXXXX                                                X X          XXXX     X    XXXXXXXXXXXX   X X X  X     X XX  X    X  X    
    XXXXXXX                                                X X          X        X    XX X     XXX     X          X     X            
    X   XXX                                                X X                   X    XX       XXX                                   
    X   XXX                                                X X                   X     X       XXX                                   
    X   XXX                                                X                     X     X       XXX                                   
        XX                                                 X                     X     X       XXX                                   
         X                                                 X                     X     X       XXX                                   
                                                           X                     X     X       XXX                                   
                                                           X                     X     X       XXX                                   
                                                           X                     X     X       XXX                                   
                                                           X                           X       XXX                                   
                                                           X                                   XXX                                   
                                                           X                                   XXX                                   
                                                           X                                   XXX                                   
                                                           X                                   XXX                                   
                                                           X                                   XX                                    
                                                           X                                    X                                    
                                                           X                                                                         
                                                           X                                                                         
                                                           X                                                                         
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000237   -0.000001110   -0.000001583
      2        6          -0.000000601    0.000000846    0.000000603
      3        6           0.000000384    0.000000780    0.000000155
      4        6           0.000000514    0.000000411   -0.000000458
      5        6          -0.000000527   -0.000000140   -0.000000406
      6        6           0.000000924    0.000000056    0.000001234
      7        6          -0.000000464   -0.000000285    0.000000268
      8        1          -0.000000310    0.000000080    0.000000346
      9        1          -0.000000411   -0.000000120    0.000000121
     10        1           0.000000469    0.000000127   -0.000000147
     11        1           0.000000365    0.000000087    0.000000077
     12        1          -0.000000566   -0.000000370   -0.000000960
     13        1          -0.000000263   -0.000000255   -0.000000759
     14        1          -0.000000003    0.000000106    0.000001009
     15        1           0.000000253   -0.000000212    0.000000499
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000001583 RMS     0.000000561
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.122622D+03 -0.564245D-05 -0.472730D+01
      2  -0.564245D-05  0.844594D+02 -0.207368D-04
      3  -0.472730D+01 -0.207368D-04  0.768984D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.590534D+01 -0.874709D-04  0.490181D+01
      2   0.414033D-04  0.202220D+02  0.274739D-03
      3   0.368916D+02  0.432168D-03 -0.159908D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.109735D-02 -0.812547D+02 -0.911148D-03
      2  -0.162181D-02  0.284729D+02  0.233325D-03
      3   0.524452D-03  0.527818D+02  0.677823D-03
      4  -0.115650D+03 -0.149129D-02  0.625318D+02
      5  -0.100005D-02  0.640353D+02  0.127240D-02
      6   0.429280D+02 -0.150688D-03  0.496114D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    45 ND12= 1 LenFil=    1623:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.117361D+02  0.485927D+01  0.639451D+01 -0.339735D+01 -0.162523D+01
      2   0.485927D+01 -0.265496D+01  0.303011D+00 -0.162523D+01 -0.482268D+01
      3   0.639451D+01  0.303011D+00  0.205448D+01  0.582782D-01 -0.122563D+00
                 6             7             8             9            10 
      1   0.582782D-01  0.378675D+01  0.319268D+01  0.240343D+01  0.701863D-03
      2  -0.122563D+00  0.319268D+01  0.201532D+01  0.493510D+00 -0.118668D+02
      3   0.251394D+01  0.240343D+01  0.493510D+00 -0.527718D+01 -0.126321D-03
                11            12            13            14            15 
      1  -0.118668D+02 -0.126321D-03 -0.859682D+01  0.176121D-03 -0.540414D+01
      2   0.785823D-04 -0.164629D+01  0.176121D-03 -0.137777D+01  0.886991D-05
      3  -0.164629D+01  0.686447D-05 -0.540414D+01  0.886991D-05 -0.128438D+01
                16            17            18            19            20 
      1  -0.154646D-03 -0.803037D+01 -0.149787D-03 -0.121070D+02  0.813221D+01
      2  -0.803037D+01 -0.446600D-05 -0.141409D+01  0.813221D+01 -0.630419D+01
      3  -0.149787D-03 -0.141409D+01 -0.108497D-03  0.348357D+01 -0.215498D+00
                21            22            23            24            25 
      1   0.348357D+01  0.159249D+02 -0.523433D+01 -0.131026D+00  0.129263D+02
      2  -0.215498D+00 -0.523433D+01  0.716406D+01 -0.401298D+00 -0.423867D+00
      3  -0.356410D+01 -0.131026D+00 -0.401298D+00  0.141452D+01 -0.107996D+01
                26            27            28            29            30 
      1  -0.423867D+00 -0.107996D+01  0.606251D+01 -0.445173D+01 -0.756170D+01
      2   0.104917D+01  0.407111D+00 -0.445173D+01  0.515784D+01  0.899844D+00
      3   0.407111D+00  0.285193D+01 -0.756170D+01  0.899844D+00  0.453792D+01
                31            32            33            34            35 
      1  -0.859563D+01  0.856542D+01 -0.118147D+01 -0.131916D+02  0.734473D-01
      2   0.856542D+01 -0.940350D+01  0.274101D+01  0.734473D-01  0.272966D+01
      3  -0.118147D+01  0.274101D+01  0.120206D+01  0.579522D+01  0.104103D+01
                36            37            38            39            40 
      1   0.579522D+01 -0.117363D+02  0.485942D+01 -0.639438D+01 -0.339732D+01
      2   0.104103D+01  0.485942D+01  0.265495D+01  0.303148D+00  0.162515D+01
      3  -0.246793D+01 -0.639438D+01  0.303148D+00 -0.205451D+01  0.583843D-01
                41            42            43            44            45 
      1   0.162515D+01  0.583843D-01 -0.378668D+01  0.319282D+01 -0.240341D+01
      2  -0.482275D+01  0.122482D+00  0.319282D+01 -0.201534D+01  0.493152D+00
      3   0.122482D+00  0.251369D+01 -0.240341D+01  0.493152D+00  0.527755D+01
                46            47            48            49            50 
      1   0.121059D+02  0.813213D+01 -0.348342D+01  0.159250D+02  0.523431D+01
      2   0.813213D+01  0.630413D+01 -0.215496D+00  0.523431D+01  0.716422D+01
      3  -0.348342D+01 -0.215496D+00  0.356406D+01 -0.131040D+00  0.401252D+00
                51            52            53            54            55 
      1  -0.131040D+00 -0.129261D+02 -0.423861D+00  0.108005D+01 -0.606189D+01
      2   0.401252D+00 -0.423861D+00 -0.104921D+01  0.407290D+00 -0.445169D+01
      3   0.141470D+01  0.108005D+01  0.407290D+00 -0.285210D+01  0.756162D+01
                56            57            58            59            60 
      1  -0.445169D+01  0.756162D+01 -0.859553D+01 -0.856535D+01 -0.118136D+01
      2  -0.515785D+01  0.899970D+00 -0.856535D+01 -0.940344D+01 -0.274114D+01
      3   0.899970D+00 -0.453798D+01 -0.118136D+01 -0.274114D+01  0.120186D+01
                61            62            63            64            65 
      1   0.131915D+02  0.735567D-01 -0.579535D+01 -0.936372D+00  0.167868D+01
      2   0.735567D-01 -0.272976D+01  0.104081D+01  0.167868D+01 -0.325623D+01
      3  -0.579535D+01  0.104081D+01  0.246812D+01  0.731345D-01  0.884413D+00
                66            67            68            69            70 
      1   0.731345D-01  0.397870D+01 -0.342410D+01  0.899522D+00  0.190508D+01
      2   0.884413D+00 -0.342410D+01  0.113884D+02 -0.246694D+01 -0.414361D+00
      3  -0.792569D+00  0.899522D+00 -0.246694D+01  0.169562D+01 -0.461339D+00
                71            72            73            74            75 
      1  -0.414361D+00 -0.461339D+00  0.112391D+01 -0.944356D-01 -0.384510D+00
      2   0.865418D+00  0.128026D+01 -0.944356D-01 -0.449899D+00 -0.141395D+00
      3   0.128026D+01 -0.129544D+01 -0.384510D+00 -0.141395D+00  0.123600D+01
                76            77            78            79            80 
      1  -0.718001D+00 -0.572823D+00  0.106290D-01 -0.208630D+01 -0.335130D+00
      2  -0.572823D+00  0.720647D+00 -0.119298D+01 -0.335130D+00 -0.182695D+01
      3   0.106290D-01 -0.119298D+01 -0.198570D+01 -0.866381D+00  0.193027D+01
                81            82            83            84            85 
      1  -0.866381D+00  0.936340D+00  0.167865D+01 -0.731092D-01  0.397873D+01
      2   0.193027D+01  0.167865D+01  0.325615D+01  0.884461D+00  0.342407D+01
      3  -0.119056D+02 -0.731092D-01  0.884461D+00  0.792603D+00  0.899581D+00
                86            87            88            89            90 
      1   0.342407D+01  0.899581D+00 -0.190498D+01 -0.414283D+00  0.461352D+00
      2   0.113883D+02  0.246713D+01 -0.414283D+00 -0.865207D+00  0.128026D+01
      3   0.246713D+01  0.169571D+01  0.461352D+00  0.128026D+01  0.129552D+01
                91            92            93            94            95 
      1  -0.112389D+01 -0.944558D-01  0.384488D+00 -0.718028D+00  0.572832D+00
      2  -0.944558D-01  0.449919D+00 -0.141343D+00  0.572832D+00  0.720510D+00
      3   0.384488D+00 -0.141343D+00 -0.123598D+01  0.106207D-01  0.119298D+01
                96            97            98            99           100 
      1   0.106207D-01  0.208628D+01 -0.335136D+00  0.866357D+00  0.238180D+01
      2   0.119298D+01 -0.335136D+00  0.182685D+01  0.192998D+01 -0.126253D+01
      3  -0.198598D+01  0.866357D+00  0.192998D+01  0.119055D+02 -0.338911D+00
               101           102           103           104           105 
      1  -0.126253D+01 -0.338911D+00 -0.204055D+01  0.150328D+01  0.169494D+01
      2  -0.384204D+00 -0.722604D+00  0.150328D+01 -0.393960D+01 -0.350171D+01
      3  -0.722604D+00 -0.124791D+01  0.169494D+01 -0.350171D+01 -0.385377D+01
               106           107           108           109           110 
      1  -0.100095D+01  0.163263D+01  0.124731D+01  0.143465D+02 -0.292805D+01
      2   0.163263D+01 -0.451313D+01 -0.386914D+01 -0.292805D+01  0.168614D+01
      3   0.124731D+01 -0.386914D+01 -0.469640D+01  0.158420D+01 -0.184753D+00
               111           112           113           114           115 
      1   0.158420D+01 -0.853700D+00  0.136898D+01  0.135112D+01  0.527647D+01
      2  -0.184753D+00  0.136898D+01 -0.418253D+00 -0.563334D+00  0.289680D+00
      3   0.111125D+01  0.135112D+01 -0.563334D+00 -0.344295D+00  0.156352D+01
               116           117           118           119           120 
      1   0.289680D+00  0.156352D+01 -0.143466D+02 -0.292814D+01 -0.158424D+01
      2  -0.586415D+00 -0.575704D+00 -0.292814D+01 -0.168618D+01 -0.184788D+00
      3  -0.575704D+00  0.482044D+00 -0.158424D+01 -0.184788D+00 -0.111123D+01
               121           122           123           124           125 
      1  -0.853840D+00 -0.136907D+01  0.135110D+01 -0.527651D+01  0.289627D+00
      2  -0.136907D+01 -0.418335D+00  0.563354D+00  0.289627D+00  0.586426D+00
      3   0.135110D+01  0.563354D+00 -0.344301D+00 -0.156347D+01 -0.575686D+00
               126           127           128           129           130 
      1  -0.156347D+01 -0.238176D+01 -0.126252D+01  0.338882D+00 -0.204053D+01
      2  -0.575686D+00 -0.126252D+01  0.384300D+00 -0.722677D+00 -0.150330D+01
      3  -0.482066D+00  0.338882D+00 -0.722677D+00  0.124796D+01  0.169486D+01
               131           132           133           134           135 
      1  -0.150330D+01  0.169486D+01  0.100093D+01  0.163257D+01 -0.124718D+01
      2  -0.393979D+01  0.350175D+01  0.163257D+01  0.451318D+01 -0.386906D+01
      3   0.350175D+01 -0.385369D+01 -0.124718D+01 -0.386906D+01  0.469616D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.245589D+01 -0.426664D+01 -0.446219D+01 -0.403639D+00 -0.125882D+02
      2   0.103569D+01 -0.608278D+00  0.228842D+01 -0.553769D+01  0.719283D+01
      3   0.403298D+01  0.468456D+01  0.616683D+01  0.626297D+01  0.281399D+01
                 6             7             8             9            10 
      1  -0.980375D+01 -0.258370D+01  0.915908D+01  0.140318D+02 -0.189384D-03
      2   0.574101D+01 -0.262791D+01 -0.148121D+01 -0.989168D+01  0.829448D+01
      3   0.931773D+00  0.425192D+01 -0.121505D+01 -0.105319D+01  0.529637D-03
                11            12            13            14            15 
      1   0.109628D+00  0.119555D-04 -0.124965D+02  0.260695D-04 -0.262894D+01
      2  -0.146036D-04  0.119601D+02 -0.372590D-04 -0.386884D+01 -0.624220D-04
      3  -0.199239D+02 -0.185461D-04  0.226796D+02  0.949782D-04 -0.143197D+01
                16            17            18            19            20 
      1  -0.168305D-03  0.796239D+00  0.000000D+00 -0.102574D+01  0.412654D+01
      2  -0.251607D+02 -0.160470D-03  0.249645D+01  0.108608D+01  0.273023D+01
      3  -0.406487D-05 -0.489604D+01 -0.885944D-05  0.308222D+00  0.894473D+01
                21            22            23            24            25 
      1  -0.689139D+01  0.369034D+01 -0.934819D+01 -0.128078D+01 -0.109011D+02
      2  -0.637006D+01  0.438955D+00 -0.458000D+01  0.442037D+01 -0.180384D+02
      3  -0.743328D+01  0.229908D+02 -0.200854D+02  0.340890D+01  0.197492D-02
                26            27            28            29            30 
      1   0.512464D+01  0.535883D+01 -0.663045D+01 -0.391649D+01  0.630453D+01
      2   0.232260D+01  0.556132D+01 -0.174253D+02  0.542116D+01  0.121471D+02
      3   0.596548D+00  0.680436D+01  0.115875D+02 -0.156980D+02  0.476516D+00
                31            32            33            34            35 
      1  -0.264198D+01  0.383152D+01 -0.355405D+01  0.184268D+01  0.469006D+01
      2  -0.346442D+01  0.102951D+02  0.328542D+01  0.140497D+01  0.797885D+01
      3  -0.113702D+02  0.163889D+02 -0.101928D+02  0.868067D+01 -0.807473D+01
                36            37            38            39            40 
      1   0.143381D+01 -0.245591D+01 -0.426684D+01  0.446210D+01 -0.403812D+00
      2  -0.367879D+01  0.103561D+01  0.608053D+00  0.228862D+01  0.553737D+01
      3  -0.955727D+01 -0.403301D+01  0.468488D+01 -0.616666D+01  0.626318D+01
                41            42            43            44            45 
      1   0.125882D+02 -0.980305D+01  0.258358D+01  0.915983D+01 -0.140320D+02
      2   0.719290D+01 -0.574051D+01 -0.262744D+01  0.148202D+01 -0.989221D+01
      3  -0.281391D+01  0.931602D+00 -0.425174D+01 -0.121504D+01  0.105281D+01
                46            47            48            49            50 
      1   0.102606D+01  0.412633D+01  0.689144D+01  0.369023D+01  0.934824D+01
      2   0.108626D+01 -0.272991D+01 -0.637022D+01 -0.438535D+00 -0.457985D+01
      3  -0.308900D+00  0.894421D+01  0.743318D+01  0.229906D+02  0.200851D+02
                51            52            53            54            55 
      1  -0.128045D+01  0.109012D+02  0.512493D+01 -0.535879D+01  0.663036D+01
      2  -0.442079D+01 -0.180389D+02 -0.232305D+01  0.556168D+01 -0.174254D+02
      3   0.340926D+01 -0.198277D-02  0.597009D+00 -0.680414D+01 -0.115873D+02
                56            57            58            59            60 
      1  -0.391624D+01 -0.630467D+01 -0.264182D+01 -0.383159D+01 -0.355417D+01
      2  -0.542170D+01  0.121473D+02  0.346398D+01  0.102952D+02 -0.328495D+01
      3  -0.156981D+02 -0.476190D+00 -0.113700D+02 -0.163884D+02 -0.101933D+02
                61            62            63            64            65 
      1  -0.184279D+01  0.469008D+01 -0.143364D+01 -0.182740D+01  0.393337D+01
      2   0.140574D+01 -0.797833D+01 -0.367959D+01 -0.301374D+01  0.115530D+01
      3  -0.868055D+01 -0.807526D+01  0.955696D+01  0.236571D+01 -0.370789D+01
                66            67            68            69            70 
      1  -0.610759D+00  0.271799D+01 -0.128601D+02 -0.158003D+01 -0.903215D-01
      2   0.142280D+01  0.219278D+01 -0.110614D+01 -0.153544D+01  0.644413D-01
      3   0.105508D+01  0.278525D+01  0.923810D+01 -0.242429D+01  0.127334D+01
                71            72            73            74            75 
      1  -0.244397D+01  0.459055D+00  0.176591D+01 -0.367191D+00 -0.127139D+01
      2  -0.220884D+01  0.155945D+01  0.303577D+01 -0.609271D+00 -0.467516D+00
      3   0.263743D+00  0.924553D+00 -0.126789D+01 -0.173132D+01  0.255758D+00
                76            77            78            79            80 
      1   0.101214D+00 -0.189324D+00  0.388616D+01  0.526360D+00  0.229322D+01
      2  -0.962567D+00  0.105400D+01  0.319858D+01 -0.432339D+01 -0.295475D+01
      3  -0.677542D+00  0.448432D-01 -0.175115D+01 -0.369385D+01 -0.204226D+01
                81            82            83            84            85 
      1   0.132171D+02  0.182738D+01  0.393329D+01  0.610864D+00  0.271793D+01
      2   0.141927D+02 -0.301365D+01 -0.115523D+01  0.142279D+01 -0.219278D+01
      3   0.404926D+00 -0.236572D+01 -0.370786D+01 -0.105512D+01  0.278530D+01
                86            87            88            89            90 
      1   0.128602D+02 -0.157976D+01  0.903772D-01 -0.244362D+01 -0.459149D+00
      2  -0.110598D+01  0.153545D+01  0.644240D-01  0.220874D+01  0.155951D+01
      3  -0.923797D+01 -0.242441D+01 -0.127323D+01  0.263612D+00 -0.924555D+00
                91            92            93            94            95 
      1  -0.176591D+01 -0.367247D+00  0.127136D+01  0.101188D+00  0.189133D+00
      2   0.303568D+01  0.609369D+00 -0.467433D+00  0.962684D+00  0.105398D+01
      3   0.126797D+01 -0.173128D+01 -0.255835D+00 -0.677602D+00 -0.446885D-01
                96            97            98            99           100 
      1   0.388654D+01 -0.526316D+00  0.229361D+01 -0.132169D+02  0.126630D+01
      2  -0.319893D+01 -0.432342D+01  0.295437D+01  0.141925D+02 -0.116726D+01
      3  -0.175119D+01  0.369369D+01 -0.204216D+01 -0.404625D+00  0.193443D+01
               101           102           103           104           105 
      1  -0.133709D-01 -0.243683D+01  0.406177D+01 -0.149290D+01 -0.545668D+01
      2  -0.241771D+01 -0.275739D+01  0.964520D+00 -0.827696D+01 -0.959117D+01
      3   0.173842D+01  0.268620D+01 -0.158574D+01  0.940030D+01  0.899832D+01
               106           107           108           109           110 
      1  -0.135499D+01  0.170735D+01 -0.484463D+01  0.333017D+01  0.449161D+00
      2   0.221654D+01 -0.109900D+02 -0.112520D+02  0.111203D+02 -0.311336D+01
      3  -0.195286D+01  0.120610D+02  0.106071D+02 -0.505951D+01 -0.538435D+01
               111           112           113           114           115 
      1   0.115102D+01 -0.960434D-01  0.367523D+00 -0.122504D+00  0.205579D+01
      2   0.698187D+01  0.370585D+01 -0.264454D+01 -0.115989D+01  0.322890D+01
      3  -0.876792D+00  0.909863D+00 -0.337154D+00  0.564781D+00 -0.660699D+01
               116           117           118           119           120 
      1   0.186413D+00 -0.351734D+00 -0.333017D+01  0.449138D+00 -0.115106D+01
      2  -0.706503D+00  0.344158D+01  0.111202D+02  0.311347D+01  0.698183D+01
      3   0.858707D+00  0.167239D+01  0.505951D+01 -0.538434D+01  0.876762D+00
               121           122           123           124           125 
      1  -0.959884D-01 -0.367478D+00 -0.122541D+00 -0.205573D+01  0.186364D+00
      2  -0.370570D+01 -0.264455D+01  0.115997D+01  0.322867D+01  0.706433D+00
      3   0.909652D+00  0.336937D+00  0.564865D+00  0.660687D+01  0.858796D+00
               126           127           128           129           130 
      1   0.351725D+00 -0.126628D+01 -0.134253D-01  0.243697D+01  0.406166D+01
      2   0.344165D+01 -0.116730D+01  0.241789D+01 -0.275748D+01 -0.964420D+00
      3  -0.167238D+01 -0.193448D+01  0.173872D+01 -0.268642D+01 -0.158571D+01
               131           132           133           134           135 
      1   0.149302D+01 -0.545675D+01  0.135507D+01  0.170728D+01  0.484452D+01
      2  -0.827711D+01  0.959097D+01  0.221629D+01  0.109899D+02 -0.112514D+02
      3  -0.940082D+01  0.899848D+01  0.195274D+01  0.120611D+02 -0.106069D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.325344D+01  0.111178D+02  0.705855D+01  0.390712D+01  0.577407D+01
      2  -0.641241D+01 -0.169001D+02 -0.119618D+02 -0.651517D+01 -0.232241D+02
      3   0.966586D+01  0.578231D+01  0.490327D+01  0.260805D+01  0.174500D+02
      4   0.366800D+01 -0.768754D+01  0.224083D+01 -0.272920D+01 -0.241143D+02
      5   0.245648D+02  0.791503D+01  0.130873D+02 -0.120971D+01 -0.452634D+01
      6   0.151878D+02 -0.293368D+01  0.208415D+01 -0.428260D+01 -0.514990D+01
                 6             7             8             9            10 
      1  -0.522935D+01 -0.609779D+01  0.355107D+00  0.206633D+02  0.225509D+02
      2  -0.619380D+01 -0.216304D+01  0.580724D+01  0.138459D+02 -0.172234D+01
      3   0.114232D+02  0.826083D+01 -0.616234D+01 -0.345092D+02 -0.208286D+02
      4  -0.518877D+01  0.964406D+01  0.226534D+01  0.197281D+01 -0.547967D-03
      5   0.190586D+01  0.158491D+02  0.471699D+01 -0.335040D+01 -0.510819D+02
      6   0.375661D+01  0.771709D+01  0.658161D+01  0.543972D+00  0.600353D-03
                11            12            13            14            15 
      1  -0.109602D-03  0.458109D+00 -0.114671D-03  0.328466D+00 -0.429021D-04
      2   0.135070D-03  0.780406D+01  0.205253D-03  0.619390D+01  0.147949D-03
      3  -0.254686D-04 -0.826217D+01 -0.905819D-04 -0.652237D+01 -0.105046D-03
      4   0.205017D+02  0.168911D-03 -0.863083D+01  0.224272D-05  0.317693D+01
      5   0.232435D-03  0.213333D+01  0.316882D-03 -0.105295D+02  0.486536D-04
      6  -0.959007D+01 -0.265557D-04 -0.117708D+02  0.320613D-03 -0.316379D+01
                16            17            18            19            20 
      1   0.125421D+02  0.124159D-04 -0.790544D+01 -0.270316D+02  0.482679D+01
      2  -0.122507D+01  0.347321D-03  0.554122D+00  0.973946D+01  0.103117D+02
      3  -0.113170D+02 -0.359737D-03  0.735131D+01  0.172922D+02 -0.151385D+02
      4   0.287783D-03  0.796276D+00 -0.194640D-04  0.248337D+02 -0.308343D+02
      5  -0.288148D+02 -0.125821D-03 -0.702626D+01  0.400923D+02 -0.816060D+01
      6  -0.157903D-03 -0.775121D+01 -0.246961D-03 -0.509629D+01  0.208955D+01
                21            22            23            24            25 
      1   0.137087D+02  0.229880D+02 -0.122754D+02 -0.423628D+01  0.182809D+02
      2  -0.141155D+02 -0.936532D+01  0.762725D+00  0.957455D+01 -0.694264D+01
      3   0.406812D+00 -0.136227D+02  0.115127D+02 -0.533827D+01 -0.113382D+02
      4  -0.315313D+01 -0.201720D+02  0.348260D+02 -0.335565D+01 -0.210976D+02
      5  -0.229767D+02 -0.201375D+02  0.404550D+01  0.148976D+02 -0.481148D+01
      6   0.583026D+01  0.643635D+01 -0.325109D+01  0.486952D+01  0.600965D+01
                26            27            28            29            30 
      1   0.503660D+00 -0.152440D+02 -0.217707D+01 -0.485797D+01 -0.299987D+02
      2  -0.792054D+01  0.346595D+01 -0.134339D+01 -0.445414D+01  0.218294D+02
      3   0.741688D+01  0.117780D+02  0.352046D+01  0.931211D+01  0.816921D+01
      4   0.486578D+01  0.688135D+00 -0.103445D+02  0.274895D+02  0.923841D+01
      5   0.840922D-01  0.101573D+02 -0.507449D+02  0.745729D+01  0.277520D+02
      6   0.743468D+01 -0.546514D+01  0.990840D+01 -0.433205D+01 -0.354936D+01
                31            32            33            34            35 
      1  -0.468132D+01  0.119316D+02  0.107402D+02 -0.481876D+02  0.141016D+02
      2  -0.143182D+02  0.174805D+02 -0.682559D+01  0.341028D+02 -0.115387D+02
      3   0.189995D+02 -0.294121D+02 -0.391456D+01  0.140848D+02 -0.256286D+01
      4   0.470338D+02 -0.452445D+02  0.772222D+01  0.662543D+01  0.842172D+01
      5  -0.320378D+00  0.881509D+01  0.407045D+01  0.380890D+02  0.556831D+00
      6  -0.990664D+00 -0.118653D+02 -0.382963D+01 -0.616097D+01 -0.270568D+01
                36            37            38            39            40 
      1   0.236087D+02 -0.325341D+01 -0.111177D+02  0.705807D+01 -0.390691D+01
      2  -0.207599D+02 -0.641178D+01  0.169005D+02 -0.119614D+02  0.651555D+01
      3  -0.284884D+01  0.966519D+01 -0.578282D+01  0.490330D+01 -0.260864D+01
      4   0.237320D+01 -0.366831D+01 -0.768757D+01 -0.224122D+01 -0.272896D+01
      5  -0.177161D+02  0.245648D+02 -0.791551D+01  0.130871D+02  0.120923D+01
      6  -0.897957D+01 -0.151880D+02 -0.293306D+01 -0.208462D+01 -0.428216D+01
                41            42            43            44            45 
      1   0.577418D+01  0.522856D+01 -0.609811D+01 -0.355938D+00  0.206642D+02
      2  -0.232244D+02  0.619274D+01 -0.216240D+01 -0.580861D+01  0.138461D+02
      3   0.174503D+02 -0.114213D+02  0.826051D+01  0.616454D+01 -0.345103D+02
      4   0.241149D+02 -0.518839D+01 -0.964474D+01  0.226587D+01 -0.197232D+01
      5  -0.452585D+01 -0.190590D+01  0.158491D+02 -0.471655D+01 -0.335115D+01
      6   0.514883D+01  0.375694D+01 -0.771728D+01  0.658118D+01 -0.542079D+00
                46            47            48            49            50 
      1  -0.270305D+02 -0.482690D+01  0.137087D+02 -0.229881D+02 -0.122757D+02
      2   0.973874D+01 -0.103115D+02 -0.141154D+02  0.936502D+01  0.762519D+00
      3   0.172917D+02  0.151384D+02  0.406684D+00  0.136231D+02  0.115131D+02
      4  -0.248325D+02 -0.308340D+02  0.315331D+01 -0.201726D+02 -0.348265D+02
      5   0.400914D+02  0.816077D+01 -0.229764D+02  0.201375D+02  0.404567D+01
      6   0.509557D+01  0.208911D+01 -0.583045D+01  0.643623D+01  0.325042D+01
                51            52            53            54            55 
      1   0.423710D+01  0.182804D+02 -0.503166D+00 -0.152445D+02 -0.217819D+01
      2  -0.957500D+01 -0.694203D+01  0.792021D+01  0.346586D+01 -0.134277D+01
      3   0.533790D+01 -0.113384D+02 -0.741704D+01  0.117786D+02  0.352096D+01
      4  -0.335545D+01  0.210977D+02  0.486556D+01 -0.688671D+00  0.103435D+02
      5  -0.148981D+02 -0.481109D+01 -0.844996D-01  0.101575D+02 -0.507442D+02
      6   0.486926D+01 -0.600952D+01  0.743508D+01  0.546521D+01 -0.990836D+01
                56            57            58            59            60 
      1   0.485761D+01 -0.299982D+02  0.468080D+01  0.119319D+02 -0.107411D+02
      2   0.445421D+01  0.218291D+02  0.143181D+02  0.174799D+02  0.682669D+01
      3  -0.931182D+01  0.816911D+01 -0.189989D+02 -0.294119D+02  0.391438D+01
      4   0.274892D+02 -0.923901D+01  0.470331D+02  0.452443D+02  0.772249D+01
      5  -0.745783D+01  0.277520D+02  0.319718D+00  0.881541D+01 -0.406944D+01
      6  -0.433214D+01  0.354989D+01 -0.990351D+00  0.118663D+02 -0.382945D+01
                61            62            63            64            65 
      1  -0.481871D+02 -0.141024D+02  0.236089D+02  0.432011D+01  0.213709D+01
      2   0.341024D+02  0.115397D+02 -0.207603D+02  0.330484D+01 -0.957698D+01
      3   0.140847D+02  0.256266D+01 -0.284866D+01 -0.762495D+01  0.743989D+01
      4  -0.662619D+01  0.842180D+01 -0.237206D+01 -0.111445D+02  0.187607D+02
      5   0.380895D+02 -0.555717D+00 -0.177171D+02  0.725068D+00 -0.509253D+01
      6   0.616163D+01 -0.270546D+01  0.897894D+01 -0.173713D+01  0.590326D+01
                66            67            68            69            70 
      1  -0.235310D+01  0.185642D+01 -0.233816D+02  0.636985D+01 -0.179370D+01
      2   0.335096D+01 -0.103896D+02  0.448672D+02 -0.634928D+01 -0.120252D+00
      3  -0.997857D+00  0.853323D+01 -0.214856D+02 -0.205755D-01  0.191396D+01
      4  -0.439733D+01  0.176473D+02 -0.374719D+02  0.854269D+01  0.148811D+01
      5   0.482830D+01 -0.523993D+01  0.104371D+02 -0.532537D+01  0.603669D+00
      6  -0.256240D+01  0.793580D+01 -0.190466D+02  0.100701D+02 -0.158132D+01
                71            72            73            74            75 
      1   0.569838D+00 -0.546321D+01 -0.296142D+00  0.242046D+00  0.470540D+01
      2   0.560548D+01  0.819018D+00 -0.185882D+01 -0.703810D+00  0.130476D+01
      3  -0.617531D+01  0.464419D+01  0.215497D+01  0.461763D+00 -0.601017D+01
      4  -0.217154D+01 -0.456414D+01  0.700824D+00  0.397906D+01 -0.205279D+01
      5  -0.406211D+01  0.316871D+01 -0.406933D+00 -0.105239D+01  0.610633D+01
      6   0.554599D+01 -0.315692D+01  0.108007D+01 -0.681117D-01  0.123546D+01
                76            77            78            79            80 
      1   0.253171D+01 -0.468089D+01 -0.453474D+01  0.791924D+00  0.787000D+01
      2  -0.230970D+01  0.356891D+01 -0.696300D+01 -0.236313D+01 -0.216334D+00
      3  -0.222016D+00  0.111198D+01  0.114977D+02  0.157120D+01 -0.765366D+01
      4   0.271579D+01 -0.270294D+01  0.344401D+01  0.296490D+00  0.467342D+01
      5   0.226874D+01  0.313459D+01  0.293557D+01  0.659775D+01 -0.407958D+01
      6   0.178612D+01 -0.153991D+01  0.591995D+01 -0.927295D+00  0.823228D+01
                81            82            83            84            85 
      1  -0.347746D+02  0.432007D+01 -0.213711D+01 -0.235318D+01 -0.185639D+01
      2  -0.236986D+02  0.330473D+01  0.957659D+01  0.335108D+01  0.103892D+02
      3   0.584732D+02 -0.762479D+01 -0.743949D+01 -0.997901D+00 -0.853280D+01
      4  -0.336895D+01  0.111443D+02  0.187603D+02  0.439757D+01  0.176471D+02
      5   0.213212D+02  0.725229D+00  0.509277D+01  0.482849D+01  0.524033D+01
      6  -0.138275D+02  0.173733D+01  0.590357D+01  0.256263D+01  0.793618D+01
                86            87            88            89            90 
      1  -0.233816D+02 -0.637030D+01 -0.179380D+01 -0.570258D+00 -0.546335D+01
      2   0.448664D+02  0.634981D+01 -0.120034D+00 -0.560464D+01  0.818933D+00
      3  -0.214848D+02  0.204836D-01  0.191384D+01  0.617489D+01  0.464442D+01
      4   0.374712D+02  0.854325D+01 -0.148775D+01 -0.217083D+01  0.456419D+01
      5   0.104377D+02  0.532571D+01  0.603746D+00  0.406222D+01  0.316896D+01
      6   0.190479D+02  0.100706D+02  0.158147D+01  0.554610D+01  0.315718D+01
                91            92            93            94            95 
      1  -0.296103D+00 -0.242268D+00  0.470525D+01 -0.253173D+01 -0.468073D+01
      2  -0.185874D+01  0.703789D+00  0.130483D+01  0.230965D+01  0.356862D+01
      3   0.215484D+01 -0.461522D+00 -0.601008D+01  0.222075D+00  0.111211D+01
      4  -0.700861D+00  0.397896D+01  0.205271D+01  0.271580D+01  0.270257D+01
      5  -0.406959D+00  0.105231D+01  0.610632D+01 -0.226890D+01  0.313458D+01
      6  -0.108023D+01 -0.680115D-01 -0.123525D+01  0.178618D+01  0.153950D+01
                96            97            98            99           100 
      1   0.453564D+01  0.791884D+00 -0.786906D+01 -0.347743D+02  0.100620D+02
      2   0.696340D+01 -0.236305D+01  0.216741D+00 -0.236989D+02 -0.282682D+01
      3  -0.114990D+02  0.157117D+01  0.765232D+01  0.584732D+02 -0.723519D+01
      4   0.344400D+01 -0.296630D+00  0.467325D+01  0.336848D+01 -0.742842D+01
      5  -0.293600D+01  0.659758D+01  0.407910D+01  0.213209D+02 -0.138434D+01
      6   0.591998D+01  0.927223D+00  0.823166D+01  0.138255D+02  0.168157D+01
               101           102           103           104           105 
      1  -0.848291D+01 -0.609743D+01 -0.331503D+01 -0.111970D+02 -0.103246D+02
      2   0.378451D+01  0.142725D+01  0.307738D+01  0.105381D+02  0.541194D+01
      3   0.469840D+01  0.467018D+01  0.237648D+00  0.658899D+00  0.491266D+01
      4   0.401416D+01  0.869509D+00  0.110658D+02 -0.154838D+02 -0.132013D+02
      5   0.197274D+00 -0.903930D+00  0.889053D+01 -0.140558D+02 -0.169751D+02
      6   0.285382D+01  0.334604D+01 -0.587433D+01  0.170499D+02  0.168995D+02
               106           107           108           109           110 
      1   0.197147D+01 -0.138909D+02 -0.157206D+02  0.888491D+02 -0.137637D+02
      2  -0.352943D+01  0.119908D+02  0.504231D+01 -0.406162D+02  0.432477D+01
      3   0.155797D+01  0.190011D+01  0.106783D+02 -0.482329D+02  0.943890D+01
      4   0.726479D+01 -0.169389D+02 -0.141373D+02 -0.330554D+02  0.162574D+02
      5   0.744970D+01 -0.147523D+02 -0.177852D+02  0.103311D+02 -0.163199D+01
      6  -0.657962D+01  0.183832D+02  0.191657D+02 -0.726376D+01  0.128177D+01
               111           112           113           114           115 
      1   0.959607D+01 -0.509566D+01  0.551191D+01  0.348299D+01  0.303399D+02
      2  -0.416156D+01  0.954120D+00 -0.783469D+00 -0.103262D+01 -0.167965D+02
      3  -0.543451D+01  0.414154D+01 -0.472844D+01 -0.245037D+01 -0.135434D+02
      4  -0.271046D+01  0.100654D+02 -0.320708D+01 -0.191605D+01 -0.240000D+01
      5   0.948926D+01  0.822115D+01 -0.258621D+01 -0.249282D+01  0.119410D+02
      6  -0.352406D+01 -0.148949D+01  0.232334D+01  0.234476D+01 -0.460699D+01
               116           117           118           119           120 
      1  -0.243775D+01  0.524988D+01  0.888491D+02  0.137641D+02  0.959612D+01
      2   0.115160D+01 -0.462458D+01 -0.406161D+02 -0.432490D+01 -0.416163D+01
      3   0.128616D+01 -0.625304D+00 -0.482329D+02 -0.943919D+01 -0.543450D+01
      4  -0.151451D+01 -0.473653D+01  0.330565D+02  0.162579D+02  0.271067D+01
      5  -0.299063D+01  0.535420D+01  0.103314D+02  0.163217D+01  0.948921D+01
      6   0.263349D+01 -0.232909D+00  0.726391D+01  0.128187D+01  0.352410D+01
               121           122           123           124           125 
      1   0.509624D+01  0.551214D+01 -0.348286D+01  0.303397D+02  0.243805D+01
      2  -0.954220D+00 -0.783402D+00  0.103256D+01 -0.167965D+02 -0.115176D+01
      3  -0.414202D+01 -0.472874D+01  0.245029D+01 -0.135433D+02 -0.128629D+01
      4   0.100661D+02  0.320765D+01 -0.191614D+01  0.240047D+01 -0.151450D+01
      5  -0.822102D+01 -0.258631D+01  0.249286D+01  0.119408D+02  0.299052D+01
      6  -0.148948D+01 -0.232335D+01  0.234475D+01  0.460690D+01  0.263350D+01
               126           127           128           129           130 
      1   0.524968D+01  0.100618D+02  0.848325D+01 -0.609752D+01  0.331495D+01
      2  -0.462443D+01 -0.282667D+01 -0.378483D+01  0.142738D+01 -0.307703D+01
      3  -0.625252D+00 -0.723512D+01 -0.469842D+01  0.467014D+01 -0.237920D+00
      4   0.473648D+01  0.742825D+01  0.401396D+01 -0.869251D+00  0.110658D+02
      5   0.535433D+01 -0.138410D+01 -0.196996D+00 -0.904220D+00 -0.889005D+01
      6   0.232923D+00 -0.168143D+01  0.285417D+01 -0.334635D+01 -0.587429D+01
               131           132           133           134           135 
      1  -0.111977D+02  0.103250D+02  0.197136D+01  0.138913D+02 -0.157205D+02
      2   0.105392D+02 -0.541259D+01 -0.352962D+01 -0.119915D+02  0.504291D+01
      3   0.658527D+00 -0.491237D+01  0.155826D+01 -0.189973D+01  0.106776D+02
      4   0.154843D+02 -0.132012D+02 -0.726443D+01 -0.169387D+02  0.141367D+02
      5  -0.140557D+02  0.169746D+02  0.744901D+01  0.147517D+02 -0.177840D+02
      6  -0.170503D+02  0.168994D+02  0.657919D+01  0.183830D+02 -0.191651D+02
 Leave Link  716 at Thu Jul  8 18:15:53 2021, MaxMem= 10737418240 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.122622D+03 -0.564245D-05 -0.472730D+01
      2  -0.564245D-05  0.844594D+02 -0.207368D-04
      3  -0.472730D+01 -0.207368D-04  0.768984D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.590534D+01 -0.874709D-04  0.490181D+01
      2   0.414033D-04  0.202220D+02  0.274739D-03
      3   0.368916D+02  0.432168D-03 -0.159908D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.109735D-02 -0.812547D+02 -0.911148D-03
      2  -0.162181D-02  0.284729D+02  0.233325D-03
      3   0.524452D-03  0.527818D+02  0.677823D-03
      4  -0.115650D+03 -0.149129D-02  0.625318D+02
      5  -0.100005D-02  0.640353D+02  0.127240D-02
      6   0.429280D+02 -0.150688D-03  0.496114D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    45 ND12= 1 LenFil=    1623:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.117361D+02  0.485927D+01  0.639451D+01 -0.339735D+01 -0.162523D+01
      2   0.485927D+01 -0.265496D+01  0.303011D+00 -0.162523D+01 -0.482268D+01
      3   0.639451D+01  0.303011D+00  0.205448D+01  0.582782D-01 -0.122563D+00
                 6             7             8             9            10 
      1   0.582782D-01  0.378675D+01  0.319268D+01  0.240343D+01  0.701863D-03
      2  -0.122563D+00  0.319268D+01  0.201532D+01  0.493510D+00 -0.118668D+02
      3   0.251394D+01  0.240343D+01  0.493510D+00 -0.527718D+01 -0.126321D-03
                11            12            13            14            15 
      1  -0.118668D+02 -0.126321D-03 -0.859682D+01  0.176121D-03 -0.540414D+01
      2   0.785823D-04 -0.164629D+01  0.176121D-03 -0.137777D+01  0.886991D-05
      3  -0.164629D+01  0.686447D-05 -0.540414D+01  0.886991D-05 -0.128438D+01
                16            17            18            19            20 
      1  -0.154646D-03 -0.803037D+01 -0.149787D-03 -0.121070D+02  0.813221D+01
      2  -0.803037D+01 -0.446600D-05 -0.141409D+01  0.813221D+01 -0.630419D+01
      3  -0.149787D-03 -0.141409D+01 -0.108497D-03  0.348357D+01 -0.215498D+00
                21            22            23            24            25 
      1   0.348357D+01  0.159249D+02 -0.523433D+01 -0.131026D+00  0.129263D+02
      2  -0.215498D+00 -0.523433D+01  0.716406D+01 -0.401298D+00 -0.423867D+00
      3  -0.356410D+01 -0.131026D+00 -0.401298D+00  0.141452D+01 -0.107996D+01
                26            27            28            29            30 
      1  -0.423867D+00 -0.107996D+01  0.606251D+01 -0.445173D+01 -0.756170D+01
      2   0.104917D+01  0.407111D+00 -0.445173D+01  0.515784D+01  0.899844D+00
      3   0.407111D+00  0.285193D+01 -0.756170D+01  0.899844D+00  0.453792D+01
                31            32            33            34            35 
      1  -0.859563D+01  0.856542D+01 -0.118147D+01 -0.131916D+02  0.734473D-01
      2   0.856542D+01 -0.940350D+01  0.274101D+01  0.734473D-01  0.272966D+01
      3  -0.118147D+01  0.274101D+01  0.120206D+01  0.579522D+01  0.104103D+01
                36            37            38            39            40 
      1   0.579522D+01 -0.117363D+02  0.485942D+01 -0.639438D+01 -0.339732D+01
      2   0.104103D+01  0.485942D+01  0.265495D+01  0.303148D+00  0.162515D+01
      3  -0.246793D+01 -0.639438D+01  0.303148D+00 -0.205451D+01  0.583843D-01
                41            42            43            44            45 
      1   0.162515D+01  0.583843D-01 -0.378668D+01  0.319282D+01 -0.240341D+01
      2  -0.482275D+01  0.122482D+00  0.319282D+01 -0.201534D+01  0.493152D+00
      3   0.122482D+00  0.251369D+01 -0.240341D+01  0.493152D+00  0.527755D+01
                46            47            48            49            50 
      1   0.121059D+02  0.813213D+01 -0.348342D+01  0.159250D+02  0.523431D+01
      2   0.813213D+01  0.630413D+01 -0.215496D+00  0.523431D+01  0.716422D+01
      3  -0.348342D+01 -0.215496D+00  0.356406D+01 -0.131040D+00  0.401252D+00
                51            52            53            54            55 
      1  -0.131040D+00 -0.129261D+02 -0.423861D+00  0.108005D+01 -0.606189D+01
      2   0.401252D+00 -0.423861D+00 -0.104921D+01  0.407290D+00 -0.445169D+01
      3   0.141470D+01  0.108005D+01  0.407290D+00 -0.285210D+01  0.756162D+01
                56            57            58            59            60 
      1  -0.445169D+01  0.756162D+01 -0.859553D+01 -0.856535D+01 -0.118136D+01
      2  -0.515785D+01  0.899970D+00 -0.856535D+01 -0.940344D+01 -0.274114D+01
      3   0.899970D+00 -0.453798D+01 -0.118136D+01 -0.274114D+01  0.120186D+01
                61            62            63            64            65 
      1   0.131915D+02  0.735567D-01 -0.579535D+01 -0.936372D+00  0.167868D+01
      2   0.735567D-01 -0.272976D+01  0.104081D+01  0.167868D+01 -0.325623D+01
      3  -0.579535D+01  0.104081D+01  0.246812D+01  0.731345D-01  0.884413D+00
                66            67            68            69            70 
      1   0.731345D-01  0.397870D+01 -0.342410D+01  0.899522D+00  0.190508D+01
      2   0.884413D+00 -0.342410D+01  0.113884D+02 -0.246694D+01 -0.414361D+00
      3  -0.792569D+00  0.899522D+00 -0.246694D+01  0.169562D+01 -0.461339D+00
                71            72            73            74            75 
      1  -0.414361D+00 -0.461339D+00  0.112391D+01 -0.944356D-01 -0.384510D+00
      2   0.865418D+00  0.128026D+01 -0.944356D-01 -0.449899D+00 -0.141395D+00
      3   0.128026D+01 -0.129544D+01 -0.384510D+00 -0.141395D+00  0.123600D+01
                76            77            78            79            80 
      1  -0.718001D+00 -0.572823D+00  0.106290D-01 -0.208630D+01 -0.335130D+00
      2  -0.572823D+00  0.720647D+00 -0.119298D+01 -0.335130D+00 -0.182695D+01
      3   0.106290D-01 -0.119298D+01 -0.198570D+01 -0.866381D+00  0.193027D+01
                81            82            83            84            85 
      1  -0.866381D+00  0.936340D+00  0.167865D+01 -0.731092D-01  0.397873D+01
      2   0.193027D+01  0.167865D+01  0.325615D+01  0.884461D+00  0.342407D+01
      3  -0.119056D+02 -0.731092D-01  0.884461D+00  0.792603D+00  0.899581D+00
                86            87            88            89            90 
      1   0.342407D+01  0.899581D+00 -0.190498D+01 -0.414283D+00  0.461352D+00
      2   0.113883D+02  0.246713D+01 -0.414283D+00 -0.865207D+00  0.128026D+01
      3   0.246713D+01  0.169571D+01  0.461352D+00  0.128026D+01  0.129552D+01
                91            92            93            94            95 
      1  -0.112389D+01 -0.944558D-01  0.384488D+00 -0.718028D+00  0.572832D+00
      2  -0.944558D-01  0.449919D+00 -0.141343D+00  0.572832D+00  0.720510D+00
      3   0.384488D+00 -0.141343D+00 -0.123598D+01  0.106207D-01  0.119298D+01
                96            97            98            99           100 
      1   0.106207D-01  0.208628D+01 -0.335136D+00  0.866357D+00  0.238180D+01
      2   0.119298D+01 -0.335136D+00  0.182685D+01  0.192998D+01 -0.126253D+01
      3  -0.198598D+01  0.866357D+00  0.192998D+01  0.119055D+02 -0.338911D+00
               101           102           103           104           105 
      1  -0.126253D+01 -0.338911D+00 -0.204055D+01  0.150328D+01  0.169494D+01
      2  -0.384204D+00 -0.722604D+00  0.150328D+01 -0.393960D+01 -0.350171D+01
      3  -0.722604D+00 -0.124791D+01  0.169494D+01 -0.350171D+01 -0.385377D+01
               106           107           108           109           110 
      1  -0.100095D+01  0.163263D+01  0.124731D+01  0.143465D+02 -0.292805D+01
      2   0.163263D+01 -0.451313D+01 -0.386914D+01 -0.292805D+01  0.168614D+01
      3   0.124731D+01 -0.386914D+01 -0.469640D+01  0.158420D+01 -0.184753D+00
               111           112           113           114           115 
      1   0.158420D+01 -0.853700D+00  0.136898D+01  0.135112D+01  0.527647D+01
      2  -0.184753D+00  0.136898D+01 -0.418253D+00 -0.563334D+00  0.289680D+00
      3   0.111125D+01  0.135112D+01 -0.563334D+00 -0.344295D+00  0.156352D+01
               116           117           118           119           120 
      1   0.289680D+00  0.156352D+01 -0.143466D+02 -0.292814D+01 -0.158424D+01
      2  -0.586415D+00 -0.575704D+00 -0.292814D+01 -0.168618D+01 -0.184788D+00
      3  -0.575704D+00  0.482044D+00 -0.158424D+01 -0.184788D+00 -0.111123D+01
               121           122           123           124           125 
      1  -0.853840D+00 -0.136907D+01  0.135110D+01 -0.527651D+01  0.289627D+00
      2  -0.136907D+01 -0.418335D+00  0.563354D+00  0.289627D+00  0.586426D+00
      3   0.135110D+01  0.563354D+00 -0.344301D+00 -0.156347D+01 -0.575686D+00
               126           127           128           129           130 
      1  -0.156347D+01 -0.238176D+01 -0.126252D+01  0.338882D+00 -0.204053D+01
      2  -0.575686D+00 -0.126252D+01  0.384300D+00 -0.722677D+00 -0.150330D+01
      3  -0.482066D+00  0.338882D+00 -0.722677D+00  0.124796D+01  0.169486D+01
               131           132           133           134           135 
      1  -0.150330D+01  0.169486D+01  0.100093D+01  0.163257D+01 -0.124718D+01
      2  -0.393979D+01  0.350175D+01  0.163257D+01  0.451318D+01 -0.386906D+01
      3   0.350175D+01 -0.385369D+01 -0.124718D+01 -0.386906D+01  0.469616D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.245589D+01 -0.426664D+01 -0.446219D+01 -0.403639D+00 -0.125882D+02
      2   0.103569D+01 -0.608278D+00  0.228842D+01 -0.553769D+01  0.719283D+01
      3   0.403298D+01  0.468456D+01  0.616683D+01  0.626297D+01  0.281399D+01
                 6             7             8             9            10 
      1  -0.980375D+01 -0.258370D+01  0.915908D+01  0.140318D+02 -0.189384D-03
      2   0.574101D+01 -0.262791D+01 -0.148121D+01 -0.989168D+01  0.829448D+01
      3   0.931773D+00  0.425192D+01 -0.121505D+01 -0.105319D+01  0.529637D-03
                11            12            13            14            15 
      1   0.109628D+00  0.119555D-04 -0.124965D+02  0.260695D-04 -0.262894D+01
      2  -0.146036D-04  0.119601D+02 -0.372590D-04 -0.386884D+01 -0.624220D-04
      3  -0.199239D+02 -0.185461D-04  0.226796D+02  0.949782D-04 -0.143197D+01
                16            17            18            19            20 
      1  -0.168305D-03  0.796239D+00  0.000000D+00 -0.102574D+01  0.412654D+01
      2  -0.251607D+02 -0.160470D-03  0.249645D+01  0.108608D+01  0.273023D+01
      3  -0.406487D-05 -0.489604D+01 -0.885944D-05  0.308222D+00  0.894473D+01
                21            22            23            24            25 
      1  -0.689139D+01  0.369034D+01 -0.934819D+01 -0.128078D+01 -0.109011D+02
      2  -0.637006D+01  0.438955D+00 -0.458000D+01  0.442037D+01 -0.180384D+02
      3  -0.743328D+01  0.229908D+02 -0.200854D+02  0.340890D+01  0.197492D-02
                26            27            28            29            30 
      1   0.512464D+01  0.535883D+01 -0.663045D+01 -0.391649D+01  0.630453D+01
      2   0.232260D+01  0.556132D+01 -0.174253D+02  0.542116D+01  0.121471D+02
      3   0.596548D+00  0.680436D+01  0.115875D+02 -0.156980D+02  0.476516D+00
                31            32            33            34            35 
      1  -0.264198D+01  0.383152D+01 -0.355405D+01  0.184268D+01  0.469006D+01
      2  -0.346442D+01  0.102951D+02  0.328542D+01  0.140497D+01  0.797885D+01
      3  -0.113702D+02  0.163889D+02 -0.101928D+02  0.868067D+01 -0.807473D+01
                36            37            38            39            40 
      1   0.143381D+01 -0.245591D+01 -0.426684D+01  0.446210D+01 -0.403812D+00
      2  -0.367879D+01  0.103561D+01  0.608053D+00  0.228862D+01  0.553737D+01
      3  -0.955727D+01 -0.403301D+01  0.468488D+01 -0.616666D+01  0.626318D+01
                41            42            43            44            45 
      1   0.125882D+02 -0.980305D+01  0.258358D+01  0.915983D+01 -0.140320D+02
      2   0.719290D+01 -0.574051D+01 -0.262744D+01  0.148202D+01 -0.989221D+01
      3  -0.281391D+01  0.931602D+00 -0.425174D+01 -0.121504D+01  0.105281D+01
                46            47            48            49            50 
      1   0.102606D+01  0.412633D+01  0.689144D+01  0.369023D+01  0.934824D+01
      2   0.108626D+01 -0.272991D+01 -0.637022D+01 -0.438535D+00 -0.457985D+01
      3  -0.308900D+00  0.894421D+01  0.743318D+01  0.229906D+02  0.200851D+02
                51            52            53            54            55 
      1  -0.128045D+01  0.109012D+02  0.512493D+01 -0.535879D+01  0.663036D+01
      2  -0.442079D+01 -0.180389D+02 -0.232305D+01  0.556168D+01 -0.174254D+02
      3   0.340926D+01 -0.198277D-02  0.597009D+00 -0.680414D+01 -0.115873D+02
                56            57            58            59            60 
      1  -0.391624D+01 -0.630467D+01 -0.264182D+01 -0.383159D+01 -0.355417D+01
      2  -0.542170D+01  0.121473D+02  0.346398D+01  0.102952D+02 -0.328495D+01
      3  -0.156981D+02 -0.476190D+00 -0.113700D+02 -0.163884D+02 -0.101933D+02
                61            62            63            64            65 
      1  -0.184279D+01  0.469008D+01 -0.143364D+01 -0.182740D+01  0.393337D+01
      2   0.140574D+01 -0.797833D+01 -0.367959D+01 -0.301374D+01  0.115530D+01
      3  -0.868055D+01 -0.807526D+01  0.955696D+01  0.236571D+01 -0.370789D+01
                66            67            68            69            70 
      1  -0.610759D+00  0.271799D+01 -0.128601D+02 -0.158003D+01 -0.903215D-01
      2   0.142280D+01  0.219278D+01 -0.110614D+01 -0.153544D+01  0.644413D-01
      3   0.105508D+01  0.278525D+01  0.923810D+01 -0.242429D+01  0.127334D+01
                71            72            73            74            75 
      1  -0.244397D+01  0.459055D+00  0.176591D+01 -0.367191D+00 -0.127139D+01
      2  -0.220884D+01  0.155945D+01  0.303577D+01 -0.609271D+00 -0.467516D+00
      3   0.263743D+00  0.924553D+00 -0.126789D+01 -0.173132D+01  0.255758D+00
                76            77            78            79            80 
      1   0.101214D+00 -0.189324D+00  0.388616D+01  0.526360D+00  0.229322D+01
      2  -0.962567D+00  0.105400D+01  0.319858D+01 -0.432339D+01 -0.295475D+01
      3  -0.677542D+00  0.448432D-01 -0.175115D+01 -0.369385D+01 -0.204226D+01
                81            82            83            84            85 
      1   0.132171D+02  0.182738D+01  0.393329D+01  0.610864D+00  0.271793D+01
      2   0.141927D+02 -0.301365D+01 -0.115523D+01  0.142279D+01 -0.219278D+01
      3   0.404926D+00 -0.236572D+01 -0.370786D+01 -0.105512D+01  0.278530D+01
                86            87            88            89            90 
      1   0.128602D+02 -0.157976D+01  0.903772D-01 -0.244362D+01 -0.459149D+00
      2  -0.110598D+01  0.153545D+01  0.644240D-01  0.220874D+01  0.155951D+01
      3  -0.923797D+01 -0.242441D+01 -0.127323D+01  0.263612D+00 -0.924555D+00
                91            92            93            94            95 
      1  -0.176591D+01 -0.367247D+00  0.127136D+01  0.101188D+00  0.189133D+00
      2   0.303568D+01  0.609369D+00 -0.467433D+00  0.962684D+00  0.105398D+01
      3   0.126797D+01 -0.173128D+01 -0.255835D+00 -0.677602D+00 -0.446885D-01
                96            97            98            99           100 
      1   0.388654D+01 -0.526316D+00  0.229361D+01 -0.132169D+02  0.126630D+01
      2  -0.319893D+01 -0.432342D+01  0.295437D+01  0.141925D+02 -0.116726D+01
      3  -0.175119D+01  0.369369D+01 -0.204216D+01 -0.404625D+00  0.193443D+01
               101           102           103           104           105 
      1  -0.133709D-01 -0.243683D+01  0.406177D+01 -0.149290D+01 -0.545668D+01
      2  -0.241771D+01 -0.275739D+01  0.964520D+00 -0.827696D+01 -0.959117D+01
      3   0.173842D+01  0.268620D+01 -0.158574D+01  0.940030D+01  0.899832D+01
               106           107           108           109           110 
      1  -0.135499D+01  0.170735D+01 -0.484463D+01  0.333017D+01  0.449161D+00
      2   0.221654D+01 -0.109900D+02 -0.112520D+02  0.111203D+02 -0.311336D+01
      3  -0.195286D+01  0.120610D+02  0.106071D+02 -0.505951D+01 -0.538435D+01
               111           112           113           114           115 
      1   0.115102D+01 -0.960434D-01  0.367523D+00 -0.122504D+00  0.205579D+01
      2   0.698187D+01  0.370585D+01 -0.264454D+01 -0.115989D+01  0.322890D+01
      3  -0.876792D+00  0.909863D+00 -0.337154D+00  0.564781D+00 -0.660699D+01
               116           117           118           119           120 
      1   0.186413D+00 -0.351734D+00 -0.333017D+01  0.449138D+00 -0.115106D+01
      2  -0.706503D+00  0.344158D+01  0.111202D+02  0.311347D+01  0.698183D+01
      3   0.858707D+00  0.167239D+01  0.505951D+01 -0.538434D+01  0.876762D+00
               121           122           123           124           125 
      1  -0.959884D-01 -0.367478D+00 -0.122541D+00 -0.205573D+01  0.186364D+00
      2  -0.370570D+01 -0.264455D+01  0.115997D+01  0.322867D+01  0.706433D+00
      3   0.909652D+00  0.336937D+00  0.564865D+00  0.660687D+01  0.858796D+00
               126           127           128           129           130 
      1   0.351725D+00 -0.126628D+01 -0.134253D-01  0.243697D+01  0.406166D+01
      2   0.344165D+01 -0.116730D+01  0.241789D+01 -0.275748D+01 -0.964420D+00
      3  -0.167238D+01 -0.193448D+01  0.173872D+01 -0.268642D+01 -0.158571D+01
               131           132           133           134           135 
      1   0.149302D+01 -0.545675D+01  0.135507D+01  0.170728D+01  0.484452D+01
      2  -0.827711D+01  0.959097D+01  0.221629D+01  0.109899D+02 -0.112514D+02
      3  -0.940082D+01  0.899848D+01  0.195274D+01  0.120611D+02 -0.106069D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.325344D+01  0.111178D+02  0.705855D+01  0.390712D+01  0.577407D+01
      2  -0.641241D+01 -0.169001D+02 -0.119618D+02 -0.651517D+01 -0.232241D+02
      3   0.966586D+01  0.578231D+01  0.490327D+01  0.260805D+01  0.174500D+02
      4   0.366800D+01 -0.768754D+01  0.224083D+01 -0.272920D+01 -0.241143D+02
      5   0.245648D+02  0.791503D+01  0.130873D+02 -0.120971D+01 -0.452634D+01
      6   0.151878D+02 -0.293368D+01  0.208415D+01 -0.428260D+01 -0.514990D+01
                 6             7             8             9            10 
      1  -0.522935D+01 -0.609779D+01  0.355107D+00  0.206633D+02  0.225509D+02
      2  -0.619380D+01 -0.216304D+01  0.580724D+01  0.138459D+02 -0.172234D+01
      3   0.114232D+02  0.826083D+01 -0.616234D+01 -0.345092D+02 -0.208286D+02
      4  -0.518877D+01  0.964406D+01  0.226534D+01  0.197281D+01 -0.547967D-03
      5   0.190586D+01  0.158491D+02  0.471699D+01 -0.335040D+01 -0.510819D+02
      6   0.375661D+01  0.771709D+01  0.658161D+01  0.543972D+00  0.600353D-03
                11            12            13            14            15 
      1  -0.109602D-03  0.458109D+00 -0.114671D-03  0.328466D+00 -0.429021D-04
      2   0.135070D-03  0.780406D+01  0.205253D-03  0.619390D+01  0.147949D-03
      3  -0.254686D-04 -0.826217D+01 -0.905819D-04 -0.652237D+01 -0.105046D-03
      4   0.205017D+02  0.168911D-03 -0.863083D+01  0.224272D-05  0.317693D+01
      5   0.232435D-03  0.213333D+01  0.316882D-03 -0.105295D+02  0.486536D-04
      6  -0.959007D+01 -0.265557D-04 -0.117708D+02  0.320613D-03 -0.316379D+01
                16            17            18            19            20 
      1   0.125421D+02  0.124159D-04 -0.790544D+01 -0.270316D+02  0.482679D+01
      2  -0.122507D+01  0.347321D-03  0.554122D+00  0.973946D+01  0.103117D+02
      3  -0.113170D+02 -0.359737D-03  0.735131D+01  0.172922D+02 -0.151385D+02
      4   0.287783D-03  0.796276D+00 -0.194640D-04  0.248337D+02 -0.308343D+02
      5  -0.288148D+02 -0.125821D-03 -0.702626D+01  0.400923D+02 -0.816060D+01
      6  -0.157903D-03 -0.775121D+01 -0.246961D-03 -0.509629D+01  0.208955D+01
                21            22            23            24            25 
      1   0.137087D+02  0.229880D+02 -0.122754D+02 -0.423628D+01  0.182809D+02
      2  -0.141155D+02 -0.936532D+01  0.762725D+00  0.957455D+01 -0.694264D+01
      3   0.406812D+00 -0.136227D+02  0.115127D+02 -0.533827D+01 -0.113382D+02
      4  -0.315313D+01 -0.201720D+02  0.348260D+02 -0.335565D+01 -0.210976D+02
      5  -0.229767D+02 -0.201375D+02  0.404550D+01  0.148976D+02 -0.481148D+01
      6   0.583026D+01  0.643635D+01 -0.325109D+01  0.486952D+01  0.600965D+01
                26            27            28            29            30 
      1   0.503660D+00 -0.152440D+02 -0.217707D+01 -0.485797D+01 -0.299987D+02
      2  -0.792054D+01  0.346595D+01 -0.134339D+01 -0.445414D+01  0.218294D+02
      3   0.741688D+01  0.117780D+02  0.352046D+01  0.931211D+01  0.816921D+01
      4   0.486578D+01  0.688135D+00 -0.103445D+02  0.274895D+02  0.923841D+01
      5   0.840922D-01  0.101573D+02 -0.507449D+02  0.745729D+01  0.277520D+02
      6   0.743468D+01 -0.546514D+01  0.990840D+01 -0.433205D+01 -0.354936D+01
                31            32            33            34            35 
      1  -0.468132D+01  0.119316D+02  0.107402D+02 -0.481876D+02  0.141016D+02
      2  -0.143182D+02  0.174805D+02 -0.682559D+01  0.341028D+02 -0.115387D+02
      3   0.189995D+02 -0.294121D+02 -0.391456D+01  0.140848D+02 -0.256286D+01
      4   0.470338D+02 -0.452445D+02  0.772222D+01  0.662543D+01  0.842172D+01
      5  -0.320378D+00  0.881509D+01  0.407045D+01  0.380890D+02  0.556831D+00
      6  -0.990664D+00 -0.118653D+02 -0.382963D+01 -0.616097D+01 -0.270568D+01
                36            37            38            39            40 
      1   0.236087D+02 -0.325341D+01 -0.111177D+02  0.705807D+01 -0.390691D+01
      2  -0.207599D+02 -0.641178D+01  0.169005D+02 -0.119614D+02  0.651555D+01
      3  -0.284884D+01  0.966519D+01 -0.578282D+01  0.490330D+01 -0.260864D+01
      4   0.237320D+01 -0.366831D+01 -0.768757D+01 -0.224122D+01 -0.272896D+01
      5  -0.177161D+02  0.245648D+02 -0.791551D+01  0.130871D+02  0.120923D+01
      6  -0.897957D+01 -0.151880D+02 -0.293306D+01 -0.208462D+01 -0.428216D+01
                41            42            43            44            45 
      1   0.577418D+01  0.522856D+01 -0.609811D+01 -0.355938D+00  0.206642D+02
      2  -0.232244D+02  0.619274D+01 -0.216240D+01 -0.580861D+01  0.138461D+02
      3   0.174503D+02 -0.114213D+02  0.826051D+01  0.616454D+01 -0.345103D+02
      4   0.241149D+02 -0.518839D+01 -0.964474D+01  0.226587D+01 -0.197232D+01
      5  -0.452585D+01 -0.190590D+01  0.158491D+02 -0.471655D+01 -0.335115D+01
      6   0.514883D+01  0.375694D+01 -0.771728D+01  0.658118D+01 -0.542079D+00
                46            47            48            49            50 
      1  -0.270305D+02 -0.482690D+01  0.137087D+02 -0.229881D+02 -0.122757D+02
      2   0.973874D+01 -0.103115D+02 -0.141154D+02  0.936502D+01  0.762519D+00
      3   0.172917D+02  0.151384D+02  0.406684D+00  0.136231D+02  0.115131D+02
      4  -0.248325D+02 -0.308340D+02  0.315331D+01 -0.201726D+02 -0.348265D+02
      5   0.400914D+02  0.816077D+01 -0.229764D+02  0.201375D+02  0.404567D+01
      6   0.509557D+01  0.208911D+01 -0.583045D+01  0.643623D+01  0.325042D+01
                51            52            53            54            55 
      1   0.423710D+01  0.182804D+02 -0.503166D+00 -0.152445D+02 -0.217819D+01
      2  -0.957500D+01 -0.694203D+01  0.792021D+01  0.346586D+01 -0.134277D+01
      3   0.533790D+01 -0.113384D+02 -0.741704D+01  0.117786D+02  0.352096D+01
      4  -0.335545D+01  0.210977D+02  0.486556D+01 -0.688671D+00  0.103435D+02
      5  -0.148981D+02 -0.481109D+01 -0.844996D-01  0.101575D+02 -0.507442D+02
      6   0.486926D+01 -0.600952D+01  0.743508D+01  0.546521D+01 -0.990836D+01
                56            57            58            59            60 
      1   0.485761D+01 -0.299982D+02  0.468080D+01  0.119319D+02 -0.107411D+02
      2   0.445421D+01  0.218291D+02  0.143181D+02  0.174799D+02  0.682669D+01
      3  -0.931182D+01  0.816911D+01 -0.189989D+02 -0.294119D+02  0.391438D+01
      4   0.274892D+02 -0.923901D+01  0.470331D+02  0.452443D+02  0.772249D+01
      5  -0.745783D+01  0.277520D+02  0.319718D+00  0.881541D+01 -0.406944D+01
      6  -0.433214D+01  0.354989D+01 -0.990351D+00  0.118663D+02 -0.382945D+01
                61            62            63            64            65 
      1  -0.481871D+02 -0.141024D+02  0.236089D+02  0.432011D+01  0.213709D+01
      2   0.341024D+02  0.115397D+02 -0.207603D+02  0.330484D+01 -0.957698D+01
      3   0.140847D+02  0.256266D+01 -0.284866D+01 -0.762495D+01  0.743989D+01
      4  -0.662619D+01  0.842180D+01 -0.237206D+01 -0.111445D+02  0.187607D+02
      5   0.380895D+02 -0.555717D+00 -0.177171D+02  0.725068D+00 -0.509253D+01
      6   0.616163D+01 -0.270546D+01  0.897894D+01 -0.173713D+01  0.590326D+01
                66            67            68            69            70 
      1  -0.235310D+01  0.185642D+01 -0.233816D+02  0.636985D+01 -0.179370D+01
      2   0.335096D+01 -0.103896D+02  0.448672D+02 -0.634928D+01 -0.120252D+00
      3  -0.997857D+00  0.853323D+01 -0.214856D+02 -0.205755D-01  0.191396D+01
      4  -0.439733D+01  0.176473D+02 -0.374719D+02  0.854269D+01  0.148811D+01
      5   0.482830D+01 -0.523993D+01  0.104371D+02 -0.532537D+01  0.603669D+00
      6  -0.256240D+01  0.793580D+01 -0.190466D+02  0.100701D+02 -0.158132D+01
                71            72            73            74            75 
      1   0.569838D+00 -0.546321D+01 -0.296142D+00  0.242046D+00  0.470540D+01
      2   0.560548D+01  0.819018D+00 -0.185882D+01 -0.703810D+00  0.130476D+01
      3  -0.617531D+01  0.464419D+01  0.215497D+01  0.461763D+00 -0.601017D+01
      4  -0.217154D+01 -0.456414D+01  0.700824D+00  0.397906D+01 -0.205279D+01
      5  -0.406211D+01  0.316871D+01 -0.406933D+00 -0.105239D+01  0.610633D+01
      6   0.554599D+01 -0.315692D+01  0.108007D+01 -0.681117D-01  0.123546D+01
                76            77            78            79            80 
      1   0.253171D+01 -0.468089D+01 -0.453474D+01  0.791924D+00  0.787000D+01
      2  -0.230970D+01  0.356891D+01 -0.696300D+01 -0.236313D+01 -0.216334D+00
      3  -0.222016D+00  0.111198D+01  0.114977D+02  0.157120D+01 -0.765366D+01
      4   0.271579D+01 -0.270294D+01  0.344401D+01  0.296490D+00  0.467342D+01
      5   0.226874D+01  0.313459D+01  0.293557D+01  0.659775D+01 -0.407958D+01
      6   0.178612D+01 -0.153991D+01  0.591995D+01 -0.927295D+00  0.823228D+01
                81            82            83            84            85 
      1  -0.347746D+02  0.432007D+01 -0.213711D+01 -0.235318D+01 -0.185639D+01
      2  -0.236986D+02  0.330473D+01  0.957659D+01  0.335108D+01  0.103892D+02
      3   0.584732D+02 -0.762479D+01 -0.743949D+01 -0.997901D+00 -0.853280D+01
      4  -0.336895D+01  0.111443D+02  0.187603D+02  0.439757D+01  0.176471D+02
      5   0.213212D+02  0.725229D+00  0.509277D+01  0.482849D+01  0.524033D+01
      6  -0.138275D+02  0.173733D+01  0.590357D+01  0.256263D+01  0.793618D+01
                86            87            88            89            90 
      1  -0.233816D+02 -0.637030D+01 -0.179380D+01 -0.570258D+00 -0.546335D+01
      2   0.448664D+02  0.634981D+01 -0.120034D+00 -0.560464D+01  0.818933D+00
      3  -0.214848D+02  0.204836D-01  0.191384D+01  0.617489D+01  0.464442D+01
      4   0.374712D+02  0.854325D+01 -0.148775D+01 -0.217083D+01  0.456419D+01
      5   0.104377D+02  0.532571D+01  0.603746D+00  0.406222D+01  0.316896D+01
      6   0.190479D+02  0.100706D+02  0.158147D+01  0.554610D+01  0.315718D+01
                91            92            93            94            95 
      1  -0.296103D+00 -0.242268D+00  0.470525D+01 -0.253173D+01 -0.468073D+01
      2  -0.185874D+01  0.703789D+00  0.130483D+01  0.230965D+01  0.356862D+01
      3   0.215484D+01 -0.461522D+00 -0.601008D+01  0.222075D+00  0.111211D+01
      4  -0.700861D+00  0.397896D+01  0.205271D+01  0.271580D+01  0.270257D+01
      5  -0.406959D+00  0.105231D+01  0.610632D+01 -0.226890D+01  0.313458D+01
      6  -0.108023D+01 -0.680115D-01 -0.123525D+01  0.178618D+01  0.153950D+01
                96            97            98            99           100 
      1   0.453564D+01  0.791884D+00 -0.786906D+01 -0.347743D+02  0.100620D+02
      2   0.696340D+01 -0.236305D+01  0.216741D+00 -0.236989D+02 -0.282682D+01
      3  -0.114990D+02  0.157117D+01  0.765232D+01  0.584732D+02 -0.723519D+01
      4   0.344400D+01 -0.296630D+00  0.467325D+01  0.336848D+01 -0.742842D+01
      5  -0.293600D+01  0.659758D+01  0.407910D+01  0.213209D+02 -0.138434D+01
      6   0.591998D+01  0.927223D+00  0.823166D+01  0.138255D+02  0.168157D+01
               101           102           103           104           105 
      1  -0.848291D+01 -0.609743D+01 -0.331503D+01 -0.111970D+02 -0.103246D+02
      2   0.378451D+01  0.142725D+01  0.307738D+01  0.105381D+02  0.541194D+01
      3   0.469840D+01  0.467018D+01  0.237648D+00  0.658899D+00  0.491266D+01
      4   0.401416D+01  0.869509D+00  0.110658D+02 -0.154838D+02 -0.132013D+02
      5   0.197274D+00 -0.903930D+00  0.889053D+01 -0.140558D+02 -0.169751D+02
      6   0.285382D+01  0.334604D+01 -0.587433D+01  0.170499D+02  0.168995D+02
               106           107           108           109           110 
      1   0.197147D+01 -0.138909D+02 -0.157206D+02  0.888491D+02 -0.137637D+02
      2  -0.352943D+01  0.119908D+02  0.504231D+01 -0.406162D+02  0.432477D+01
      3   0.155797D+01  0.190011D+01  0.106783D+02 -0.482329D+02  0.943890D+01
      4   0.726479D+01 -0.169389D+02 -0.141373D+02 -0.330554D+02  0.162574D+02
      5   0.744970D+01 -0.147523D+02 -0.177852D+02  0.103311D+02 -0.163199D+01
      6  -0.657962D+01  0.183832D+02  0.191657D+02 -0.726376D+01  0.128177D+01
               111           112           113           114           115 
      1   0.959607D+01 -0.509566D+01  0.551191D+01  0.348299D+01  0.303399D+02
      2  -0.416156D+01  0.954120D+00 -0.783469D+00 -0.103262D+01 -0.167965D+02
      3  -0.543451D+01  0.414154D+01 -0.472844D+01 -0.245037D+01 -0.135434D+02
      4  -0.271046D+01  0.100654D+02 -0.320708D+01 -0.191605D+01 -0.240000D+01
      5   0.948926D+01  0.822115D+01 -0.258621D+01 -0.249282D+01  0.119410D+02
      6  -0.352406D+01 -0.148949D+01  0.232334D+01  0.234476D+01 -0.460699D+01
               116           117           118           119           120 
      1  -0.243775D+01  0.524988D+01  0.888491D+02  0.137641D+02  0.959612D+01
      2   0.115160D+01 -0.462458D+01 -0.406161D+02 -0.432490D+01 -0.416163D+01
      3   0.128616D+01 -0.625304D+00 -0.482329D+02 -0.943919D+01 -0.543450D+01
      4  -0.151451D+01 -0.473653D+01  0.330565D+02  0.162579D+02  0.271067D+01
      5  -0.299063D+01  0.535420D+01  0.103314D+02  0.163217D+01  0.948921D+01
      6   0.263349D+01 -0.232909D+00  0.726391D+01  0.128187D+01  0.352410D+01
               121           122           123           124           125 
      1   0.509624D+01  0.551214D+01 -0.348286D+01  0.303397D+02  0.243805D+01
      2  -0.954220D+00 -0.783402D+00  0.103256D+01 -0.167965D+02 -0.115176D+01
      3  -0.414202D+01 -0.472874D+01  0.245029D+01 -0.135433D+02 -0.128629D+01
      4   0.100661D+02  0.320765D+01 -0.191614D+01  0.240047D+01 -0.151450D+01
      5  -0.822102D+01 -0.258631D+01  0.249286D+01  0.119408D+02  0.299052D+01
      6  -0.148948D+01 -0.232335D+01  0.234475D+01  0.460690D+01  0.263350D+01
               126           127           128           129           130 
      1   0.524968D+01  0.100618D+02  0.848325D+01 -0.609752D+01  0.331495D+01
      2  -0.462443D+01 -0.282667D+01 -0.378483D+01  0.142738D+01 -0.307703D+01
      3  -0.625252D+00 -0.723512D+01 -0.469842D+01  0.467014D+01 -0.237920D+00
      4   0.473648D+01  0.742825D+01  0.401396D+01 -0.869251D+00  0.110658D+02
      5   0.535433D+01 -0.138410D+01 -0.196996D+00 -0.904220D+00 -0.889005D+01
      6   0.232923D+00 -0.168143D+01  0.285417D+01 -0.334635D+01 -0.587429D+01
               131           132           133           134           135 
      1  -0.111977D+02  0.103250D+02  0.197136D+01  0.138913D+02 -0.157205D+02
      2   0.105392D+02 -0.541259D+01 -0.352962D+01 -0.119915D+02  0.504291D+01
      3   0.658527D+00 -0.491237D+01  0.155826D+01 -0.189973D+01  0.106776D+02
      4   0.154843D+02 -0.132012D+02 -0.726443D+01 -0.169387D+02  0.141367D+02
      5  -0.140557D+02  0.169746D+02  0.744901D+01  0.147517D+02 -0.177840D+02
      6  -0.170503D+02  0.168994D+02  0.657919D+01  0.183830D+02 -0.191651D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.191962D+00      0.487918D+00      0.162752D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.191962D+00      0.487918D+00      0.162752D+01
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.852990D+02      0.126400D+02      0.140639D+02
   aniso      0.373661D+02      0.553708D+01      0.616084D+01
   xx         0.109553D+03      0.162341D+02      0.180628D+02
   yx         0.000000D+00      0.000000D+00      0.000000D+00
   yy         0.764922D+02      0.113350D+02      0.126119D+02
   zx        -0.363271D+01     -0.538312D+00     -0.598953D+00
   zy        -0.172710D-04     -0.255930D-05     -0.284760D-05
   zz         0.698520D+02      0.103510D+02      0.115170D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.946601D+02      0.140272D+02      0.156073D+02
   aniso      0.432340D+02      0.640662D+01      0.712832D+01
   xx         0.122622D+03      0.181708D+02      0.202177D+02
   yx         0.000000D+00      0.000000D+00      0.000000D+00
   yy         0.844594D+02      0.125156D+02      0.139255D+02
   zx        -0.472730D+01     -0.700514D+00     -0.779427D+00
   zy        -0.207368D-04     -0.307287D-05     -0.341903D-05
   zz         0.768984D+02      0.113952D+02      0.126788D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.87101396         -1.89800546          1.71687623
     6          0.00001414         -0.00000484          0.66730765
     6          2.55746347         -0.05110177         -0.25689623
     6          4.29158929          0.87118401         -1.78401959
     6         -1.87094092          1.89795248          1.71702826
     6         -2.55748337          0.05112294         -0.25677291
     6         -4.29166176         -0.87113989         -1.78384947
     1         -2.56419996          1.59212247          3.62305156
     1         -1.63317316          3.86513141          1.18917404
     1          2.56435890         -1.59224144          3.62287838
     1          1.63322083         -3.86516271          1.18895558
     1          3.86949091          2.41531064         -3.05971705
     1          6.19333457          0.11503323         -1.81151500
     1         -6.19341214         -0.11500020         -1.81126572
     1         -3.86959066         -2.41523067         -3.05960164

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.191962D+00      0.487918D+00      0.162752D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.191962D+00      0.487918D+00      0.162752D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.852990D+02      0.126400D+02      0.140639D+02
   aniso      0.373661D+02      0.553708D+01      0.616084D+01
   xx         0.109553D+03      0.162340D+02      0.180628D+02
   yx         0.363367D+01      0.538454D+00      0.599111D+00
   yy         0.698521D+02      0.103510D+02      0.115171D+02
   zx        -0.787298D-03     -0.116666D-03     -0.129808D-03
   zy        -0.993721D-04     -0.147254D-04     -0.163843D-04
   zz         0.764922D+02      0.113350D+02      0.126119D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.946601D+02      0.140272D+02      0.156073D+02
   aniso      0.432340D+02      0.640662D+01      0.712832D+01
   xx         0.122622D+03      0.181707D+02      0.202177D+02
   yx         0.472840D+01      0.700677D+00      0.779608D+00
   yy         0.768987D+02      0.113952D+02      0.126789D+02
   zx        -0.901434D-03     -0.133579D-03     -0.148626D-03
   zy        -0.126274D-03     -0.187118D-04     -0.208197D-04
   zz         0.844594D+02      0.125156D+02      0.139255D+02

 ----------------------------------------------------------------------
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 GARLIC THEN HAVE POWER TO SAVE FROM DEATH
 BEAR WITH IT THOUGH IT MAKETH UNSAVORY BREATH,
 AND SCORN NOT GARLIC LIKE SOME THAT THINK
 IT ONLY MAKETH MEN WINK AND DRINK AND STINK.
   --  SIR JOHN HARRINGTON,
       "THE ENGLISHMAN'S DOCTOR", 1609
 Job cpu time:       0 days  1 hours 38 minutes 13.1 seconds.
 Elapsed time:       0 days  0 hours  6 minutes  9.8 seconds.
 File lengths (MBytes):  RWF=    216 Int=      0 D2E=      0 Chk=      7 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 18:15:53 2021.
